Application

Index

Application object

Properties:

• applicationName: String

• mainWindow: MainWindow [read-only]

  Main window object

• name: String [read-only]

  Application name

• organizationName: String

• version: Object [read-only]

  Application version

• version.build: Number [read-only]

  Version build number

• version.full: String [read-only]

  Full version string

• version.major: Number [read-only]

  Version major number

• version.minor: Number [read-only]

  Version minor number

• version.number: Number [read-only]

  Introduced in v.8.1.0-11172

  Floating point representation of the version. It is recommended to use this number to compare software versions.

• version.release: String [read-only]

  The version release

  Valid values: {"Chemist", "Console", "Full", "Lite"}

• version.revision: Number [read-only]

  Version revision number.

Constructors:

Functions:

• blockSignals ( QObject aObj, Bool aBlock )

  Blocks or unblocks the signals emmited by an object.

  • QObject aObj
  • Bool aBlock

• checkDependencies ( Array aPlgArr )

  Checks the availability of a list of plug-ins. Throws an exception if it fails

  • Array aPlgArr

    - An array with the names or ids of the needed plug-ins

• exit ( Number aStatus )

  Closes all the windows and exits Mnova with an exit status.

  • Number aStatus

• getPluginInfo ( String|RegExp aPluginID ): Object

  Returns an object with information about the specified plug-in

  • String|RegExp aPluginID

    - A regular expression or a string (in this case must be an uuid or a plugin name, case insensitive)

• loadUi ( String aUiString, String aWorkingDir = Dir.application() )

  Load a user interface string and returns the created object

  • String aUiString
  • String aWorkingDir

    - The UI resource files, such as icons and resource files, are relative to this directory

• loadUiFile ( String aUiFile, String aWorkingDir = Dir.application() )

  Load a user interface file and returns the created object

  • String aUiFile
  • String aWorkingDir

    - The UI resource files, such as icons and resource files, are relative to this directory

• lockDocument ( Document aDocument )

  Forces the activeDocument to be aDocument until the next call of unlockDocument

  • Document aDocument

• markForDeletion ( QObject aObj )

  Schedule and object for deletion in the main thread

  • QObject aObj

• openUrl ( String aUrl )

  Opens URL with external browser.

  • String aUrl

• quit ( )

  Closes all the windows and quits Mnova.

• setExitStatus ( Number aStatus )

  Sets the application exit status

  • Number aStatus

• unlockDocument ( )

Arrow

Index

Arrow page item

Inherits PageItem

Properties:

• endX: Number

• endY: Number

• startX: Number

• startY: Number

Constructors:

• Arrow ( Arrow aArrow )

  • Arrow aArrow

Functions:

• endHead ( ): Object

  Returns an object with the arrow end head attributes

• setEndHead ( Object aObject )

  • Object aObject

• setStartHead ( Object aObject )

  • Object aObject

• startHead ( ): Object

  Returns an object with the arrow start head attributes

• toString ( ): String

ASVPlugin

Index

The Mnova Verify plug-in object

Enumerations:

• VerifyFlags: Number = {NMRAbsReference, None, RedoNMRPredictions}

Properties:

• negativeThreshold: Number

• positiveThreshold: Number

• settings: ASVSettings [read-only]

  The verification settings

Constructors:

• ASVPlugin ( ASVPlugin aASVPlugin )

  • ASVPlugin aASVPlugin

Functions:

• getResults ( PageItem aSpecItem ): Array

  Gets all the verification result objects in an array where the given spectrum item was involved. (Undefined if no results were found).

  • PageItem aSpecItem

    - Either a NMR item or a mass item

• getResults ( Molecule aMolecule ): Array

  Gets all the verification result objects in an array where the given molecule was involved. (Undefined if no results were found).

  • Molecule aMolecule

    - Either a molecule item or a string containing a molecule identifier

• getResults ( ): Array

  Gets all the verification result objects in an array for the current document. (Undefined if no results were found).

• getResults ( PageItem aSpecItem, Molecule aMolecule ): Array

  Gets all the verification result objects in an array where the given spectrum item and molecule were involved. (Undefined if no results were found).

  • PageItem aSpecItem

    - Either a NMR item or a mass item

  • Molecule aMolecule

    - Either a molecule item or a string containing a molecule identifier

• modifyPriorConfidence ( aPriorConfidence, [Number aId] )

  Modify the prior confidence of a result if aId is specified or of all the results in the document if the id is undefined.

  • aPriorConfidence

    - The new prior confidence. It must be a number between 0 and 1.

  • Number aId [optional]

    - A verification result id.

• moleculeIdFromResult ( VerificationResult aResult ): String

  Gets a string containing a molecule identifier for the molecule used to get the given result

  • VerificationResult aResult

    - A verification result

• moleculeIdFromResult ( VerificationResult aResult ): String

  Gets a string containing a molecule identifier for the molecule used to get the given result

  • VerificationResult aResult

    - A verification result

• moleculeIdFromResult ( VerificationResult aResult ): String

  Gets a string containing a molecule identifier for the molecule used to get the given result

  • VerificationResult aResult

    - A verification result

• moleculeIdFromResult ( VerificationResult aResult ): String

  Gets a string containing a molecule identifier for the molecule used to get the given result

  • VerificationResult aResult

    - A verification result

• ASVPlugin.scoreToColor ( aScore, [ aPositiveThreshold], [ aNegativeThreshold] )

  Returns the associated color for a given score

  • aScore
  • aPositiveThreshold [optional]

    - Value to be interpreted as positive threshold. If not specified the plugin positive threshold will be used

  • aNegativeThreshold [optional]

    - Value to be interpreted as negative threshold. If not specified the plugin negative threshold will be used

• spectraItemsFromResult ( VerificationResult aResult ): Array

  Gets all the spectral items used to get the given result as an array of page items.

  • VerificationResult aResult

    - A verification result

• verify ( Array aNMRGroup, Molecule aMolecule, [MassItem aMSItem], [Number aFlags], [Number aPriorConfidence] ): VerificationResult

  Verifies a molecule structure against a group of NMR items and a mass item (optional) belonging to the same compound. Returns a verification result object (can be undefined in case of error).

  • Array aNMRGroup

    - Either an array of NMR items or just a single NMR item

  • Molecule aMolecule

    - Either a molecule item or a string containing a molecule identifier

  • MassItem aMSItem [optional]

    - A Mass item

  • Number aFlags [optional]

    - A number containing one or several flag values. Default: VerifyFlags.NMRAbsReference

  • Number aPriorConfidence [optional]

    - A number between 0 and 1 to specify the prior confidence. Default: 0.5.

ASVSettings

Index

The verification settings

Properties:

• mass: MassVerifySettings [read-only]

• nmr: NMRVerifySettings [read-only]

ASVWarning

Index

A warning or message issued when running a verification

See also: VerificationResult.messages

Properties:

• advice: String [read-only]

  A warning advice on how to fix it. (Can contain HTML entities).

• context: String [read-only]

  The warning context. What originates the warning.

• description: String [read-only]

  The warning detailed description (Can contain HTML entities).

• hidden: Boolean [read-only]

  A boolean value telling if the user set the warning to be displayed or not.

• message: String [read-only]

  The warning short description.

• params: Object [read-only]

  An object whose properties are the parameters provided by the warning

• type: Number [read-only]

  A numeric value indicating the warning type

Atom

Index

Properties:

• alias: String

• assignmentQuality: Number [read-only]

• assignmentStability: Number [read-only]

  Valid values: {Atom.AssignmentStability.Normal, Atom.AssignmentStability.Stable, Atom.AssignmentStability.Unknown}

• charge: Number

• color: String

  Label color

  Valid values: {"#RRGGBB", "Color Keywords"}

• elementSymbol: String

• isotope: Number

• nH: Number

• nHAll: Number

• number: String

• protonNotation: Number

  Proton notation to be used

  Valid values: {Atom.AB, Atom.ALPHABETA, Atom.AXEQ, Atom.CISTRANS, Atom.QUOTES}

• stereoNotation: String [read-only]

  Stereo notation for the atom

• text: String

• valence: Number

Constructors:

• Atom ( Atom aAtom )

  • Atom aAtom

Functions:

• protonLabel ( Number aIndex ): String

  Returns the proton label, according with the protonNotation. Example: ', '', cis, trans,...

  • Number aIndex

    - Proton index

    Valid values: {1, 2, 3}

• toString ( ): String

  String representation of the object

AtomNMRAssignmentData

Index

Properties:

• atom: Object

  Object with two properties: index, the 1-based index of the atom in the molecule and h which can take the values 'a', 'b', 'c' or can be undefined for explicit H or non H elements

• shift: Object|Number|Array

  If it's a number it's the chemichal shift assigned to the atom. When it's a object it has two properties, "max" and "min" to describe the range assigned to the atom. If it's an array it contains a list of either number or objects described before.

Example:

			
assignments = [
		{atom: {index: 3}, shift: [13, 14]},
		{atom: {index: 3, h:'a'}, shift: {min: 7.21, max: 7.25}},
		{atom: {index: 4, h: 'a'}, shift: 7.95}
];
		
		

AtomNMRPredictionData

Index

Properties:

• atom: Object

  Object with two properties: index, the 1-based index of the atom in the molecule and h which can take the values 'a', 'b', 'c' or can be undefined for explicit H or non H elements. When returning grouped elements is an array.

• js: Array

  Returns an array of objects. Each one of the objects has two properties "atom" and "j" with the same format of the PredictionData.atom and PredictionData.shift.

• shift: Object|Number

  If it's a number it's the predicted chemichal shift of the atom. When it's a object it has two properties, "value" and "error".

Example:

			
var predObject = {
	atom: {index:6, h:"a"},
	shift:{value:1.0000001192092896, error:0.35},
	js:[
		{atom:{index:10, h:"a"}, j:{value:1.5, error:-1}},
		{atom:{index:11, h:"a"}, j:{value:0.5, error:0.5}},
		{atom:{index:15, h:"a"}, j:{value:0.5, error:0.5}}
	]
};
		
		

Attachment

Index

Object to attach data to an mnova document

Properties:

• isEmpty: Boolean

• isText: Boolean

• size: Number

Constructors:

• Attachment ( )

Functions:

• binaryDataAsFile ( String aPath ): Number

  Writes the data in the attachment to the file as unformatted data. Returns the number of bytes actually written to the file.

  • String aPath

• getMetaData ( ): Object

  Returns the meta data associated to this attachment in the form of an Object map

• getMetaDataValue ( String aName, Variant aDefaultValue ): Variant

  • String aName
  • Variant aDefaultValue

• removeMetaDataValue ( String aName )

  • String aName

• setBinaryDataFromFile ( String aPath ): Number

  Set the attachment data to be the unformatted data in the file. Returns the new size of the attachment.

  • String aPath

• setMetaData ( Object aObject )

  Sets the meta data associated to this attachment

  • Object aObject

• setMetaDataValue ( String aName, Variant aValue )

  • String aName
  • Variant aValue

• setTextData ( String aText ): Number

  Set the attachment data to be this text. Returns the new size.

  • String aText

• setTextDataFromFile ( String aPath, String aCodec ): Number

  Set the attachment data to be the text in the file. Returns the new size.

  • String aPath
  • String aCodec

    - Codec to be used when reading the text from the file

• textData ( ): String

AutoTraceAlignmentParams

Index

Properties:

• applyToDAD: Boolean

  Set to true if the offset must be applied to DAD traces

• applyToTrace: Boolean

  Set to true if the offset must be applied to non-DAD traces

• offset: Number

  The offset in min that traces must be shifted in order to be aligned with MS chromatograms

BinaryStream

Index

The BinaryStream object provides serialization of binary data to a file

Properties:

• endianness: Number

  Gets/sets the serialization endianness

  Valid values: {BinaryStream.eBig, BinaryStream.eLittle}

• pos: Number

  Gets/sets the file position corresponding to the current position of the stream. Returns -1 if an error occurs

Constructors:

• BinaryStream ( File aIODevice )

  Constructs a BinaryStream that operates on a File, a NetworkReply or a ByteArray

  • File aIODevice

• BinaryStream ( BinaryStream aStream )

  Constructs a BinaryStream that is a copy of aStream

  • BinaryStream aStream

• BinaryStream ( String aHexStr )

  Constructs a BinaryStream that operates on aHexStr (see Qt's QByteArray::toHex)

  • String aHexStr

Functions:

• atEnd ( ): Boolean

  Returns true if there is no more data to be read from the BinaryStream

• readBool ( )

  Reads a boolean from the stream

• readBytes ( Number aSize ): ByteArray

  Reads aSize bytes from the stream.

  • Number aSize

• readCString ( )

  Reads the '\0'-terminated (C-like) string from the stream

• readInt16 ( )

  Reads a signed 16-bit integer from the stream

• readInt32 ( )

  Reads a signed 32-bit integer from the stream

• readInt64 ( )

  Reads a signed 64-bit integer from the stream

• readInt8 ( )

  Reads a signed byte from the stream

• readReal32 ( )

  Reads a 32-bit real (float) from the stream

• readReal64 ( )

  Reads a 64-bit real (double) from the stream

• readString ( )

  Reads a String from the stream

• skip ( Number aSize )

  Skips the aSize bytes in the stream

  • Number aSize

• toString ( ): String

• writeBool ( Boolean aValue )

  Writes a boolean to the stream

  • Boolean aValue

• writeBytes ( String | ByteArray aValue, [Number aSize] )

  Writes aSize bytes from aValue to the stream

  • String | ByteArray aValue
  • Number aSize [optional]

• writeCString ( String aValue )

  Writes the '\0'-terminated (C-like) string to the stream

  • String aValue

• writeInt16 ( Number aValue )

  Writes a signed 16-bit integer to the stream

  • Number aValue

• writeInt32 ( Number aValue )

  Writes a signed 32-bit integer to the stream

  • Number aValue

• writeInt64 ( Number aValue )

  Writes a signed 64-bit integer to the stream

  • Number aValue

• writeInt8 ( Number aValue )

  Writes a signed byte to the stream

  • Number aValue

• writeReal32 ( Number aValue )

  Writes a 32-bit real (float) to the stream

  • Number aValue

• writeReal64 ( Number aValue )

  Writes a 64-bit real (double) to the stream

  • Number aValue

• writeString ( String aValue )

  Writes a String to the stream

  • String aValue

BlindRegion

Index

Defines a region of the spectrum to not be processed

Properties:

• f1: Object

  It has a from and to properties

• f2: Object

  It has a from and to properties

• name: String

Constructors:

• BlindRegion ( Number aFrom, Number aTo )

  • Number aFrom
  • Number aTo

• BlindRegion ( Number aFrom1, Number aTo1, Number aFrom2, Number aTo2 )

  • Number aFrom1
  • Number aTo1
  • Number aFrom2
  • Number aTo2

Functions:

• BlindRegion.exportList ( Array aBlindRegionArray ): String

  Export the blind region array to XML and returns the string

  • Array aBlindRegionArray

• BlindRegion.importList ( String aXmlString ): Array

  Parses the XML string and returns an array of blind regions

  • String aXmlString

• toString ( ): String

Bond

Index

Enumerations:

• BondStereo: Number = {bsCisOrTrans, bsDown, bsEither, bsNone, bsUp}

• BondType: Number = {btAny, btAromatic, btDouble, btDoubleOrAromatic, btSingle, btSingleOrAromatic, btSingleOrDouble, btTriple}

Properties:

• atom1: Number

• atom2: Number

• bondStereo: BondStereo

• bondType: BondType

Constructors:

• Bond ( Bond aBond )

  • Bond aBond

Functions:

• toString ( ): String

  String reperesentation of the object

ByteArray

Index

Represents and array of bytes in memory. It can be used to read/write using a BinaryStream or a TextStream.

Properties:

• size: Number

Constructors:

• ByteArray ( String aString, String aCodec = 'Latin1' )

  • String aString
  • String aCodec

    - IANA character set name or alias

• ByteArray ( ByteArray aBytes )

  • ByteArray aBytes

Functions:

• at ( Number aIndex ): Number

  • Number aIndex

• ByteArray.fromBase64 ( ByteArray aBase64Array ): ByteArray

  • ByteArray aBase64Array

• toBase64 ( ): ByteArray

• toString ( String aCodec = 'Latin1' ): String

  IANA character set name or alias

  • String aCodec

CheckBox

Index

Provides a checkbox with a text label

Properties:

• checked: bool

  Returns the check state

• enabled: Boolean

  True if the widget is enabled

Signals:

• signal toggled: Boolean
  

  Emitted when the toggle state changes

Constructors:

• CheckBox ( )

Functions:

• text ( ): String

  Returns the text of the check box

ChemometricsData

Index

Properties:

• data: Array

• itemId: String

• itemInfos: Array

• options: Object

• regions: Array

Constructors:

Functions:

• raiseDialog ( )

Chromatogram

Index

A chromatogram object

Properties:

• parameters: Object [read-only]

  An object containing the parameters shown in the Parameters Table

• pointsNumber: Number [read-only]

  The chromatogram number of points

• procParams: ChromatogramProcParams [read-only]

  The applied processing parameters

Constructors:

Functions:

• dataPoint ( Number aIndex ): Object

  • Number aIndex

• process ( ChromatogramProcParams aParams )

  • ChromatogramProcParams aParams

• setDataPoint ( Number aIndex, Object aPoint )

  • Number aIndex
  • Object aPoint

ChromatogramItem

Index

A chromatogram item object

Inherits PageItem

Properties:

• activeChromatogramIndex: Number

  The index of the active chromatogram. An integer value from 0 to ChromatogramItem.count -1

• count: Number [read-only]

  Returns the number of chromatograms contained in this item

• properties: ChromPlotProperties

  The item graphical properties (background, grid, axes, peaks, etc)

Constructors:

• ChromatogramItem ( ChromatogramItem aItem )

  • ChromatogramItem aItem

Functions:

• appendChromatogram ( ChromatogramItem aOtherChromItem )

  Appends the chromatograms from another ChromatogramItem to this.

  • ChromatogramItem aOtherChromItem

    - The other chromatogram item

• chromatogram ( [Number aIndex] ): Chromatogram

  Get a chromatogram object

  • Number aIndex [optional]

    - An integer value from 0 to ChromatogramItem.count -1. The index of the chromatogram to get. If omitted, the active one is returned.

• removeChromatogram ( Number aIndex ): Boolean

  Removes the chromatogram for index aIndex. Returs true if it has succeeded.

  • Number aIndex

    - The chromatogram index to delete

ChromatogramProcParams

Index

Properties:

• normalization: ChromNormalizationParams

• timeShift: ChromTimeShiftParams

ChromNormalizationParams

Index

Properties:

• apply: Boolean

• factor: Number

ChromPlotAxesProps

Index

An object to set and get the chromatogram item plot axes properties

Inherits Plot1DAxesProps

Properties:

• stacked: PlotStackedAxisProps

  The stacked axis properties

ChromPlotProperties

Index

An object to set and get the chromatogram item plot properties

Properties:

• axes: ChromPlotAxesProps

  The plot axes properties

• background: PlotBackgroundProps

  The plot background properties

• grid: PlotGridProps

  The plot grid properties

• line: Plot1DLineProps

  The plot line properties

• peaks: PlotChromPeaksProps

  The plot peaks properties

• title: PlotTitleProps

  The plot title properties

Example:

function test()
{
	var chromItem = chrom.activeItem();
	if( chromItem != undefined ) {
		var oldAxes = chromItem.properties.axes;

		//Set directly
		chromItem.properties.axes.horizontal.label.text = "X axis";
		chromItem.properties.axes.horizontal.visible = true;

		//Set by creating a new object and setting only the values we want to change
		var hnew = new Object();
		hnew.visible = true;
		hnew.label = new Object();
		hnew.label.text = "X axis";
		chromItem.properties.axes.horizontal = hnew;

		//Set by copying
		chromItem.properties.axes = oldAxes;
	}
}
		

ChromPlugin

Index

The Chromatography plug-in object

Constructors:

• ChromPlugin ( ChromPlugin aChromPlugin )

  • ChromPlugin aChromPlugin

Functions:

• activeItem ( ): ChromatogramItem

  Returns the active chromatogram item

• loadParametersCustomization ( String aFileName, [String aFileFormat] ): Boolean

  Loads a parameter customization file associated to the file format and sets it as default.

  • String aFileName
  • String aFileFormat [optional]

ChromTimeShiftParams

Index

Properties:

• apply: Boolean

• offset: Number

ComboBox

Index

Provides a popup list

Properties:

• count: Number

  Number of items

• currentIndex: Number

  Current index

• currentText: String

  Text in the current index

• items: Array

  List of items

Signals:

• signal activated: Number
  

  Emitted when the user selects an index

Constructors:

Functions:

• addItem ( String aItemName )

  Adds items to the combo box

  • String aItemName

• clear ( )

  Removes the items of the combo box

DBClient

Index

Represents a database server client.

See also: DBPlugin.client, DBPlugin.createClient

Properties:

• database: String

  The name of the currently open database, or empty if none is currently open.

  
  mainWindow.doAction("dbDatabaseOpen");
  print(DBPlugin.client.database);
  			

  See also: connected, databases, host, openDatabase

• host: String [read-only]

  The name of MnDB server this client is connected to, or empty if not connected.

  See also: connected, name

• name: String [read-only]

  The name of the computer this client is running on.

  See also: host

• port: int [read-only]

  The port of the MnDB server which this client is connected to, or -1 if not connected.

  See also: connected

• user: String [read-only]

  The user name we are connected as, or empty if not connected.

  See also: connected

Constructors:

Functions:

• connect ( String aServer, int aPort, String aUser, String aPassword, [String aDatabase] ): Boolean

  Connects to the specified server and optionally opens the specified database. Returns True on success and False on Failure.

  • String aServer

    - Host name or IP address of the server

  • int aPort

    - Port the server is listening on

  • String aUser

    - User name to send to the server

  • String aPassword

    - Password to send to the server

  • String aDatabase [optional]

    - Name of database to be opened

  
  var db = DBPlugin.createClient();
  db.connect("localhost", 5504, "test", "secret", "mydb");
  if (db.connected())
  	MessageBox.information("Connected as user 'test' to database 'mydb' on server 'localhost'.");
  else
  	MessageBox.critical("Could not connect.");
  db.disconnect();
  			

• connected ( ): Boolean

  Returns true if the connection to the server is open.

  See also: connect, disconnect

• createDatabase ( DBDefinition aDefinition ): Boolean

  Creates a new database on the server using the specified database definition. Returns True on success and False on Failure. Will throw an error if not connected to a server.

  • DBDefinition aDefinition

    - Name and schema of the database to create

  
  var db = DBPlugin.createClient();
  var dbname = "test_1";
  var dbschema = DBDefinition.defaultDefinition(dbname);
  db.connect("localhost", 5504, "test", "secret");
  if (!db.connected())
  	MessageBox.critical("Could not connect.");
  else if (!db.createDatabase(dbschema))
  	print("Could not create database '" + dbname + "'.");
  else
  	print("Database '" + dbname + "' created successfully.");
  db.disconnect();
  			

  See also: databases, DBDefinition

• databases ( ): Array

  Queries the server for the list of databases and returns the result.

  
  var db = DBPlugin.createClient();
  db.connect("localhost", 5504, "test", "secret");
  if (!db.connected())
  	MessageBox.critical("Could not connect.");
  else
  {
  	var dbnames = db.databases();
  	for( var i = 0; i < dbnames.length; i++ )
  	{
  		print("  Database " + (i+1) + ": "+ dbnames[i]);
  	}
  }
  db.disconnect();
  			

  See also: createDatabase

• definition ( [String aDatabaseName] ): DBDefinition

  Returns the DBDefinition object for the specified database. Will throw an error if not connected to a server.

  • String aDatabaseName [optional]

    - The database name. If not given, the function will return the DBDefinition object for the currently open database.

  See also: DBDefinition

• disconnect ( )

  Closes any open server connection.

  See also: connect, connected

• openDatabase ( String aDatabaseName ): Boolean

  Opens a database on the server. Returns True on success and False on Failure. Will throw an error if not connected to a server.

  • String aDatabaseName

    - Name of the database to open

  
  var db = DBPlugin.createClient();
  var dbname = "test_1";
  db.connect("localhost", 5504, "test", "secret");
  if (!db.connected())
  	MessageBox.critical("Could not connect.");
  else if (!db.openDatabase(dbname))
  	print("Could not open database '" + dbname + "'.");
  else
  	print("Now connected to database '" + dbname + "'.");
  db.disconnect();
  			

  See also: connect, databases

• saveRecord ( int aRecordId, Array aItems ): int

  Stores the given items in the database as a new record. Returns the id of the newly created record or -1 on error. This function does not perform any checks for duplicate items in the database.

  • int aRecordId

    - The record number to store the items under or 0 for new record.

  • Array aItems

    - The items to store. Can be either an array of DBItem objects or an array of PageItem objects.

    See also: DBItem, PageItem

  
  var db = DBPlugin.createClient();
  db.connect("localhost", 5504, "test", "secret", "testdb");
  if (!db.connected())
  	MessageBox.critical("Could not connect to database testdb as user test.");
  else {
  	// Save all PageItems in document to a new record
  	var items = new Array();
  	var dw = mainWindow.activeDocument;
  	for( var i = 0; i < dw.itemCount(); i++ )
  		items.push(dw.item(i));
  	print("Saving...");
  	var cid = db.saveRecord(0, items);
  	if (cid > 0)
  		MessageBox.information("Saved " + items.length + " items under record id " + cid + ".")
  	else
  		MessageBox.critical("Error while saving.")
  }
  db.disconnect();
  			

• sendRequest ( String aRequest ): String

  Sends a raw request packet to the server and returns the server response. Will throw an error if not connected to a server.

  • String aRequest

    - The request data.

• toString ( ): String

  Returns a string representation of this object.

DBDefinition

Index

Holds meta information about a database.

See also: DBClient.createDatabase

Properties:

• clientVersion: String [read-only]

  Version of the Mnova client used to create the database.

• created: String [read-only]

  Date/Time of database creation in ISO format.

• creator: String [read-only]

  User who created the database.

• name: String

  Name of the database

• records: Int [read-only]

  The highest used record id.

• serverVersion: String [read-only]

  Version of the MnServer software used to create the database.

• version: String

  Version of the database storage protocol specification. Used internally by the Mnova server.

Constructors:

Functions:

• addField ( String aItemType, String aName, String aType, Number aSize = 0, String aContentDef, String aComment ): Boolean

  Adds a new data field to this database definition object. Returns True on success and False on Failure.

  • String aItemType

    - The name of the itemtype to which the given field should be added.

  • String aName

    - The name of the field to be added. Field names must be unique for any given database and item type.

  • String aType

    - The type of field to be added.

    Valid values: {"BINARY", "CHEMSTRC", "LINK", "MOLFORM", "MULTIPLETLIST1A", "NUMERIC", "PEAKLIST1A", "PEAKLIST2A", "SVGPICT", "TEXT"}

  • Number aSize

    - The field size. This will determine the maximum amount of data which can be stored in this field.

  • String aContentDef

    - The field content definition.

  • String aComment

    - A comment for this field which will be shown in the database info dialog.

  
  // A database only for molecules:
  var dbdef = DBDefinition.emptyDefinition("MyDatabase");
  dbdef.addItemType("Molecule", "COMP", "");
  dbdef.addField("Molecule", "Structure", "CHEMSTRC", 0, "=Molecule(item).getMolfile()", "The molecule structure.");
  dbdef.addField("Molecule", "Formula", "MOLFORM", 0, "=Molecule(item).molecularFormula()", "The molecular formula.");
  dbdef.addField("Molecule", "Weight", "NUMERIC", 0, "=Molecule(item).molecularWeight()", "The molecular weight.");
  dbdef.addField("Molecule", "Svg", "SVGPICT", 0, "-SVG-", "An svg picture of the molecule.");
  dbdef.addField("Molecule", "ID", "TEXT", 100, "=item.uuid", "A unique identifier for each molecule.");
  			

  See also: addItemType, hasField, removeField

• addItemType ( String aName, String aType, String aComment ): Boolean

  Adds a new item type to this database definition object. Returns True on success and False on Failure.

  • String aName

    - The name of the item type to be added. Item type names must be unique for any given database.

  • String aType

    - The item type to be added.

    Valid values: {"COMP", "GENERIC", "NMR"}

  • String aComment

    - A comment for this item type which will be shown in the database info dialog.

  See also: addField, hasItemType, removeItemType

• contentDef ( String aItemType, String aFieldName ): String

  Returns the field content definition for the given field.

  • String aItemType

    - The name of the itemtype.

  • String aFieldName

    - The name of the field.

  
  var dbdef = DBDefinition.defaultDefinition("MyDatabase");
  var itemTypes = dbDef.itemTypes();
  for (var i=0; i<itemTypes.length; i++)
  {
  	var fields = dbdef.fields(itemTypes[i]);
  	for (var f=0; f<fields.length; f++)
  	{
  		print ("ItemType=" + itemTypes[i]);
  		print ("Field name=" + fields[f]);
  		print ("Content Def=" + dbdef.contentDef(itemTypes[i], fields[f]));
  	}
  }
  			

  See also: addField

• defaultDefinition ( [String aName = ""] ): DBDefinition

  Returns a default database schema with the given database name.

  • String aName [optional]

    - The database name.

  See also: emptyDefinition

• emptyDefinition ( [String aName = ""] ): DBDefinition

  Returns an empty database schema with the given database name.

  • String aName [optional]

    - The database name.

  See also: addField, addItemType, defaultDefinition

• fields ( String aItemType ): Array

  Returns the field names this definition contains for the given item type.

  • String aItemType

    - The name of the itemtype.

  See also: addField, itemTypes

• hasField ( String aItemType, String aName ): Boolean

  Returns true if this database defintion contains a field with the specified item type and field name.

  • String aItemType

    - The name of the itemtype.

  • String aName

    - The name of the field.

  See also: addField, hasItemType, removeField

• hasItemType ( String aItemType ): Boolean

  Returns true if the database definition contains an item type with the specified name.

  • String aItemType

    - The name of the item type.

  See also: addItemType, hasField, removeItemType

• itemTypes ( ): Array

  Returns the item types this definition contains.

  See also: addItemtype, fields, hasItemtype

• removeField ( String aItemType, String aName ): Boolean

  Removes the specied field from this database definition. Returns True on success and False on Failure.

  • String aItemType

    - The name of the itemtype from which the given field should be removed.

  • String aName

    - The name of the field to be removed.

  
  // Dont store any preview pictures:
  var dbdef = DBDefinition.defaultDefinition("MyDatabase");
  dbdef.removeField("Molecule", "Preview");
  dbdef.removeField("Spectrum", "Preview");
  dbdef.removeField("MNmova", "Preview");
  			

  See also: addField, hasField, removeItemType

• removeItemType ( String aName ): Boolean

  Removes the specied itemtype from this database definition. Returns True on success and False on Failure.

  • String aName

    - The name of the item type to be removed.

  
  // Dont store any molecules:
  var dbdef = DBDefinition.defaultDefinition("MyDatabase");
  dbdef.removeItemType("Molecule");
  			

  See also: addItemType, removeField

• toString ( ): String

  Returns a string representation of this object.

• toXml ( ): String

  Returns a representation of this object in XML format.

DBItem

Index

Represents a database item.

Properties:

• type: String

  Item type, as in the database definition.

  See also: DBDefinition.addItemType

Constructors:

• DBItem ( )

  Constructs an empty DBItem.

• DBItem ( String aType )

  Constructs an empty DBItem of the given item type.

  • String aType

• DBItem ( DBItem aItem )

  Constructs a new DBItem with item type and fields fom the given item.

  • DBItem aItem

    - The item to copy.

Functions:

• addField ( String aFieldName, Variant aValue )

  Adds a field with the specified field name and value. This is a synonym for setField.

  • String aFieldName

    - The field name.

  • Variant aValue

    - The field content.

  See also: DBDefinition.addField, field, removeField

• field ( String aFieldName ): Variant

  Returns the field contents for the given field name.

  • String aFieldName

    - The field name.

  See also: fieldNames, setField

• fieldNames ( ): Array

  Returns an array with the names of all fields.

  See also: field, setField

• hasField ( String aFieldName ): Boolean

  Returns True iff this DBItem object has a field with the given name.

  • String aFieldName

    - The field name to check.

  See also: field, setField

• removeField ( String aFieldName )

  Removes the field with the given name from this DBItem.

  • String aFieldName

    - The field name.

  See also: DBDefinition.removeField, field, setField

• setField ( String aFieldName, Variant aValue )

  Sets the contents for the specified field to the specified value.

  • String aFieldName

    - The field name.

  • Variant aValue

    - The field content.

  
  var item = new DBItem("Molecule");
  dbitem.setField("Name", "Catechin");
  dbitem.setField("Formula", "C15H14O6");
  dbitem.setField("AtomCount", 21);
  dbitem.setField("Mass", 290.08);
  print(dbitem);
  			

  See also: DBDefinition.addField, field, removeField

• toString ( ): String

  Returns a string representation of this object.

DBPlugin

Index

The global DBPlugin object

Properties:

• client: DBClient [read-only]

  The global DBClient object. Interaction with this object will be reflected in the GUI.

  
  mainWindow.doAction("dbDatabaseOpen");
  print(DBPlugin.client.database);
  			

  See also: createClient, DBClient

Constructors:

Functions:

• addRecord ( DBClient aClient, Array aItems ): int [deprecated]

  Use DBClient.saveRecord instead. Stores the given items in the database as a new record. Returns the id of the newly created record or -1 on error. This function does not perform any checks for duplicate items in the database.

  • DBClient aClient

    - The database client where to store the items.

    See also: DBClient

  • Array aItems

    - The items to store. Can be either an array of DBItem objects or an array of PageItem objects.

    See also: DBItem, PageItem

  See also: DBClient.saveRecord, getRecord

• createBrowser ( Array aRecords )

  Creates a DBBrowser window for the given records.

  • Array aRecords

    - The records to browse. An array of DBRecord objects containing the records to show.

  
  var records = [];
  for (var r = 1; r <= 3; r++) {
          print("Retrieving record {0} of 3...").format(r));
          record = DBPlugin.getRecord(DBPlugin.client, r, false);
          records.push(record);
  }
  DBPlugin.createBrowser(records);
  			

  See also: DBRecord, getRecord

• createClient ( ): DBClient

  Creates and returns a new DBClient object.

  See also: client, DBClient

• getRecord ( DBClient aClient, int aRecordId, [Boolean aPaste = true] ): DBRecord

  Retrieves the requested record from the database.

  • DBClient aClient

    - The database client to use to retrieve the items.

    See also: DBClient

  • int aRecordId

    - The record ID as returned by addRecord().

  • Boolean aPaste [optional]

    - If true (the default), the items from the retrieved record are pasted into the current Mnova document. If false, nothing gets pasted into the document and only the DBRecord object is returned.

  
  var db = DBPlugin.createClient();
  db.connect("localhost", 5504, "test", "secret", "testdb");
  if (!db.connected())
  	MessageBox.critical("Could not connect to database testdb as user test.");
  else {
  	var dw = mainWindow.newDocument();
  	var recid = 1;
          var paste = true;
  	var record = DBPlugin.getRecord(db, recid, paste);
          MessageBox.information("Pasted " + dw.itemCount() + " items from record id " + recid + ".")
  	db.disconnect();
  }
  			

  See also: addRecord, DBRecord

• getRecordItems ( DBClient aClient, Number aRecordId ): Array [deprecated]

  Use getRecord(client, record_id, false).items() instead. Retrieves the items from the given record in the database and returns them as an array of DBItem objects.

  • DBClient aClient

    - The database client to use to retrieve the items.

    See also: DBClient

  • Number aRecordId

    - The record ID as returned by addRecord().

  See also: addRecord

• search ( DBClient aDBClient, String aQuery, [String aSearchType = "TEXT"], [String aItemType = ""], [String aFieldName = ""], [Number aMaxHits = 1000], [Number aMaxRecords = 100], [Number aMinHitQuality = 1000] ): DBSearchHits

  Executes a database search and returns the result as a DBSearchHits object.

  • DBClient aDBClient

    - The database client object.

    See also: createClient

  • String aQuery

    - The search query.

  • String aSearchType [optional]

    - The type of the search to execute.

    Valid values: {"CHEMSTRC", "DATETIME", "MOLFORM", "MULTIPLETLIST1A", "NUMERIC", "PEAKLIST1A", "PEAKLIST2A", "TEXT"}

  • String aItemType [optional]

    - The type of items to search for. Must correspond to the name of an item type in the database definition (by default Molecule, Spectrum, or Mnova). If not specified, will search for all item types.

  • String aFieldName [optional]

    - The name of a database field to search through. Must correspond to the name of a field in the database definition. If not specified, will search through all fields whose type matches the aSearchType parameter.

  • Number aMaxHits [optional]

    - The maximum number of search hits which will be returned.

  • Number aMaxRecords [optional]

    - The maximum number of records which will be returned.

  • Number aMinHitQuality [optional]

    - The minimal score a search hit must have to be included in the results. Valid values range from 1 to 1000.

  
  var db = DBPlugin.createClient();
  db.connect("localhost", 5504, "test", "secret", "testdb");
  if (!db.connected())
  	MessageBox.critical("Could not connect to database testdb as user test.");
  else {
  	// Search for "-" in all text fields of all items, return max. 1000 hits:
  	var hits = DBPlugin.search(db, "-");
  	print (hits.length  + " hits found.");
  	for( var h = 0; h < hits.length; h++ )
  	{
  		var hit = hits.at(h);
  		print(" Hit " + h + ": Record=" + hit.recordId() + " Item=" + hit.itemId() + " Score=" + hit.score());
  	}
  	db.disconnect();
  }
  			

  See also: DBSearchHits, getRecord

• toString ( ): String

  Returns a string representation of this object.

DBRecord

Index

Represents a database record.

See also: DBPlugin.getRecord

Constructors:

Functions:

• id ( ): Number

  Returns the record id of this record.

• items ( ): Array

  Returns an array with the DBItems of this record.

  See also: DBItem

• toString ( ): String

  Returns a string representation of this object.

• url ( ): String

  Returns the location identifier (URL) of this record.

DBSearchHit

Index

Represents an entry in a list of database search results

See also: DBPlugin.search, DBSearchHits.at

Constructors:

Functions:

• itemId ( ): Number

  Returns the item number of the search hit

• recordId ( ): Number

  Returns the record id for the search hit

• score ( ): Number

  Returns the score of the search hit. Higher numbers mean better matches

• toString ( ): String

DBSearchHits

Index

A list of database search results

See also: DBPlugin.search

Properties:

• count: Number [read-only]

  The number of search results in the list.

• length: Number [read-only]

  A synonym for count.

  See also: DBSearchHits.count

Constructors:

Functions:

• at ( Number aIndex ): DBSearchHit

  Gets a search hit at a specified index.

  • Number aIndex

    - The index of the search hit in the list. From 0 to count - 1.

Dialog

Index

Creates a dialog with Ok and Cancel buttons

Properties:

• cancelButtonText: String

  String in the Cancel button

• enabled: Boolean

  True if the widget is enabled

• okButtonText: String

  String in the Ok button

• title: String

  Title of the window

Constructors:

• Dialog ( )

Functions:

• add ( Widget aWidget )

  Adds a Widget to Dialog

  • Widget aWidget

• addSpace ( Number aSpace )

  Adds space to the dialog

  • Number aSpace

• exec ( ): Number

  Shows the dialog. Returns 1 if accepted 0 otherwise

Dir

Index

The Dir object provides access to directory structures and their contents

Properties:

• absPath: String

  Returns the absolute path

• exists: Boolean

  Returns true if the directory exists

• name: String

  Returns the name of the directory

Constructors:

• Dir ( String aDirPath )

  Constructs a Dir pointing to the given directory path

  • String aDirPath

• Dir ( Dir aDir )

  Constructs a copy of the aDir

  • Dir aDir

Functions:

• Dir.alphanumericPathsCompare ( String aPath1, String aPath2 ): Number

  Compares aPath1 with aPath2 and returns an integer less than, equal to, or greater than zero if aPath1 is less than, equal to, or greater than aPath2. If a directory name in the paths is an alphanumeric string then the function compares, using natural sort order, alphanumeric values instead of strings.

  • String aPath1
  • String aPath2

  
  				var samplesDir = new Dir("c:/samples")
  				var mayDatasets = samplesDir.entryListAdv("2010-05-??/*/pdata/1/1r")
  				mayDatasets.sort(Dir.numericPathsCompare)
  			

• Dir.appDataCommon ( ): String

  Returns the OS specific, common for all users, application data directory name

  See also: Dir.appDataUser

• Dir.appDataUser ( ): String

  Returns the OS specific user application data directory name

  See also: Dir.appDataCommon

• Dir.application ( ): String

  Returns the absolute path of the application executable

• canonicalPath ( ): String

  Resolves symbolic links and removes redundant "." or ".." elements from this directory object's path. If the canonical path does not exist (normally due to dangling symbolic links) canonicalPath() returns an empty string.

• Dir.canonicalPath ( String aDirPath ): String

  Resolves symbolic links and removes redundant "." or ".." elements from the path, aDirPath. If the canonical path does not exist (normally due to dangling symbolic links) canonicalPath() returns an empty string.

  • String aDirPath

• cd ( String aDirName ): Boolean

  Changes the Dir's directory to dirName

  • String aDirName

• cdUp ( ): Boolean

  Changes directory by moving one directory up from the Dir's current directory

• Dir.cleanDirPath ( String aDirPath ): String

  Removes all multiple directory separators "/" and resolves any "."s or ".."s found in the path, aDirPath

  • String aDirPath

• Dir.convertSeparators ( String aDirPath ): String

  Returns aDirPath with the '/' separators converted to separators that are appropriate for the underlying operating system

  • String aDirPath

• Dir.copy ( Dir aSrcDir, Dir aDstDir ): Boolean

  Recursively copies the source directory to the destination directory.

  • Dir aSrcDir
  • Dir aDstDir

• Dir.current ( ): String

  Returns the absolute path of the application's current directory

• Dir.drives ( ): Array

  Returns a list of the root directories on this system

• entryInfoList ( String aWildcard, Number aKind = 0, Number aSortFlags = 0 ): Array

  This function is equivalent to entryList but instead of returning an array of strings returns an array of FileInfo objects

  • String aWildcard

    - Filter that understands * and ? wildcards

  • Number aKind

    - Filter option. Combination of the following flags

    Valid values: {Dir.AccessMask, Dir.All, Dir.Dirs, Dir.Drives, Dir.Executable, Dir.Files, Dir.Hidden, Dir.Modified, Dir.NoSymLinks, Dir.Readable, Dir.RWEMask, Dir.System, Dir.TypeMask, Dir.Writable}

  • Number aSortFlags

    - Sort option. Combination of the following flags

    Valid values: {Dir.DirsFirst, Dir.IgnoreCase, Dir.Name, Dir.Reversed, Dir.Size, Dir.SortByMask, Dir.Time, Dir.Type, Dir.Unsorted}

  See also: entryList, FileInfo

• entryList ( String aWildcard, Number aKind = 0, Number aSortFlags = 0 ): Array

  Returns a list of the names of all the files and directories in the directory, ordered according to the name and attribute filters

  • String aWildcard

    - Filter that understands * and ? wildcards

  • Number aKind

    - Filter option. Combination of the following flags

    Valid values: {Dir.AccessMask, Dir.All, Dir.Dirs, Dir.Drives, Dir.Executable, Dir.Files, Dir.Hidden, Dir.Modified, Dir.NoSymLinks, Dir.Readable, Dir.RWEMask, Dir.System, Dir.TypeMask, Dir.Writable}

  • Number aSortFlags

    - Sort option. Combination of the following flags

    Valid values: {Dir.DirsFirst, Dir.IgnoreCase, Dir.Name, Dir.Reversed, Dir.Size, Dir.SortByMask, Dir.Time, Dir.Type, Dir.Unsorted}

• entryListAdv ( String aPathWildcard, Number aDirsSortFlags = Dir.Name, Number aFilesSortFlags = Dir.Name ): Array

  Returns a list of the names of all the files in the directory matching to the specified aPathWildcard

  • String aPathWildcard

    - Filter that understands * and ? wildcards and / path separator

  • Number aDirsSortFlags

    - Directories sort option. Combination of the following flags

    Valid values: {Dir.DirsFirst, Dir.IgnoreCase, Dir.Name, Dir.Reversed, Dir.Size, Dir.SortByMask, Dir.Time, Dir.Type, Dir.Unsorted}

  • Number aFilesSortFlags

    - Files sort option. Combination of the following flags

    Valid values: {Dir.DirsFirst, Dir.IgnoreCase, Dir.Name, Dir.Reversed, Dir.Size, Dir.SortByMask, Dir.Time, Dir.Type, Dir.Unsorted}

  
  				var samplesDir = new Dir("c:/samples")
  				var mayDatasets = samplesDir.entryListAdv("2010-05-??/*/pdata/1/1r")
  			

• fileExists ( String aName ): Boolean

  Returns true if the file or directory called aName exists.

  • String aName

• filePath ( String aFileName ): String

  Returns the path name of a file in the directory. Does not check if the file actually exists in the directory

  • String aFileName

• Dir.home ( ): String

  Returns the absolute path of the user's home directory

• mkdir ( String aDirName ): Boolean

  Creates a sub-directory specified by aDirName

  • String aDirName

• mkpath ( String aDirPath ): Boolean

  Creates the directory path aDirPath. The function will create all parent directories necessary to create the directory

  • String aDirPath

• Dir.numericPathsCompare ( String aPath1, String aPath2 ): Number

  Compares aPath1 with aPath2 and returns an integer less than, equal to, or greater than zero if aPath1 is less than, equal to, or greater than aPath2. If a directory name in the paths is an integer number then the function compares integer values, instead of strings.

  • String aPath1
  • String aPath2

  
  				var samplesDir = new Dir("c:/samples")
  				var mayDatasets = samplesDir.entryListAdv("2010-05-??/*/pdata/1/1r")
  				mayDatasets.sort(Dir.numericPathsCompare)
  			

• rename ( String aOldName, String aNewName ): Boolean

  Renames a file or directory from aOldName to aNewName, and returns true if successful; otherwise returns false.

  • String aOldName
  • String aNewName

• rmdir ( String aDirName ): Boolean

  Removes the directory specified by aDirName

  • String aDirName

• rmpath ( String aDirPath ): Boolean

  Removes the directory path aDirPath. The function will remove all parent directories in aDirPath, provided that they are empty

  • String aDirPath

• Dir.root ( ): String

  Returns the absolute path of the root directory

• Dir.searchPaths ( String aPrefix )

  Returns the search paths associated to aPrefix

  • String aPrefix

• Dir.setCurrent ( String aDirPath ): Boolean

  Sets the application's current working directory to aDirPath

  • String aDirPath

• Dir.temp ( ): String

  Returns the absolute path of the system's temporary directory

• toString ( ): String

Document

Index

Document object

Properties:

• docItems: Array [read-only]

  A list of items owned by the document itself (not by its pages). For example, molecules from the table of compounds. For experts only!

  See also: pageItems

• molTableItems: Array [read-only]

  A list of items from the table of compounds

• name: String [read-only]

  Returns the document name.

• orientation: String

  The orientation can be portrait, if the page's height is greater than its width; or landscape,if the page's width is greater than its height.

  Valid values: {"Landscape", "Portrait"}

• pageItems: Array [read-only]

  A list of items owned by document's pages.

  See also: docItems

• templateHistory: Boolean

  Controls layout template document history filling in the GUI

• uuid: String [read-only]

  Returns document UUID.

Constructors:

• Document ( )

  Constructs a standalone empty document. The document won't be accesible to the user until MainWindow.addDocument is called.

  See also: addDocument

  See also: lockDocument

• Document ( String aPath )

  Constructs a standalone document with the mnova document in aPath. The document won't be accesible to the user until MainWindow.addDocument is called.

  • String aPath

  
  function createDocument()
  {
  	//creates empty document
  	var doc = new Document();
  	//or create a document from a File
  	//var doc = new Document("/path/to/mnova/file");
  
  	//imports data to the document
  	serialization.importFile("/path/to/a/file/to/import", "", doc);
  
  	//lock the document before running more tasks on it
  	Application.lockDocument(doc);
  
  	//mainWindow.activeDocument will always return doc in this block
  
  	//... do the things to be done
  
  	settings.save("/path/to/save/result.mnova", "mnova");
  	//unlock the document when done
  	Application.unlockDocument();
  
  	//add the document to the MainWindow if we want to show the result to the user
  	mainWindow.addDocument(doc);
  
  	//or destroy the document if we don't want to show the result
  	//doc.destroy();
  }
  			

  See also: addDocument

  See also: lockDocument

  See also: importFile

• Document ( Document aDoc )

  • Document aDoc

Functions:

• addPage ( Number aIndex )

  • Number aIndex

• applyTemplateDocument ( String aFileName, Object aOptions = undefined )

  Applies layout template document

  • String aFileName

    - Layout template document filename

  • Object aOptions

    - The layout template options: {applyProcessing: Boolean, applyZoom: Boolean, applySinglePageTemplateToCurrentPage: Boolean}.

  applyTemplateDocument('c:/MyTemplates/MyLayoutTemplate.mnova', {applyProcessing: false, applyZoom: true, applySinglePageTemplateToCurrentPage: true})

• attachmentNames ( ): Array

  Returns the list with the names of all the attachments in the document.

• clonePages ( Array aPages ): Array

  Creates a copy of the pages sent as parameter and adds them to the document. Returns an array with the new pages.

  • Array aPages

    - A page or an array of pages that can be specified with their Page objects, their index in the document or their uuid.

• close ( )

  Closes the document window

• curPage ( ): Page

  Returns current page

  See also: setCurPage, setCurPageIndex

• Document.deleteItems ( PageItem | Array aPageItems )

  Delete the items

  • PageItem | Array aPageItems

    - A page item or an array of page items

• deletePages ( Array aPages )

  Delete an array of pages

  • Array aPages

    - A page or an array of pages that can be specified with their Page objects, their index in the document or their uuid.

• destroy ( )

  Destroys the underlying document object. If the document is in the Mnova document list this is equivalent to close.

• getActiveItem ( )

  Returns the active item in the document

  See also: setActiveItem

• getActiveItem ( aType )

  Returns the active item in the document of a given type aType

  • aType

  See also: setActiveItem

• getAttachment ( String aName ): Attachment

  Returns the attachment if exists or undefined.

  • String aName

• getItem ( String aUuid ): PageItem

  Returns the element with the ID aUuid from the document

  • String aUuid

    - An element id as returned by PageItem.uuid

  See also: item, PageItem

• getMolTableItem ( String aMoleculeID ): PageItem

  Returns a molecule from the table of molecules with the given molecule ID

  • String aMoleculeID

    - The molecule ID

• getMolTableItem ( Number aIndex ): PageItem

  Returns a molecule from the table of molecules at the given index

  • Number aIndex

    - A molecule index

• getMolTableItemCount ( ): Number

  Returns the number of molecules in the table of molecules

• isValid ( ): Boolean

• item ( Number aIndex, String aType ): PageItem

  Returns the aIndex-th element of type aType in the document

  • Number aIndex

    - Index of element to return

  • String aType

    - Element Type

    Valid values: {"Arrow", "Ellipse", "Graph", "Image", "Layout Template", "Mass Spectrum", "Molecule", "NMR Spectrum", "OLE Object", "Polygon", "Rectangle", "Text", "UVIR spectrum"}

  See also: itemCount

• item ( Number aIndex ): PageItem

  Returns the element number aIndex in the document

  • Number aIndex

  See also: itemCount

• itemCount ( ): Number

  Number of elements in the document

• itemCount ( String aType ): Number

  Number of elements of type aType in the document

  • String aType

    - Element Type

    Valid values: {"Arrow", "Ellipse", "Graph", "Image", "Layout Template", "Mass Spectrum", "Molecule", "NMR Spectrum", "OLE Object", "Polygon", "Rectangle", "Text", "UVIR spectrum"}

• itemsByName ( String aType1, ..., String aTypeN ): Array

  Returns an array of page items of the specified types.

  • String aType1
  • ...
  • String aTypeN

• movePages ( Number aIndex, Page | Array aPages )

  • Number aIndex
  • Page | Array aPages

• newPage ( Boolean atEnd )

  Creates a new page

  • Boolean atEnd

• page ( Number String aPageId ): Page

  Returns a page in the document.

  • Number String aPageId

    - A page number or uuid

• pageCount ( ): Number

  Number of pages of the document

• pageIndex ( Page aPage ): Number

  Returns index of aPage.

  • Page aPage

• pages ( ): Array

  Returns all document pages.

• pagesIds ( ): Array

  Returns an array with all the page ids in the document

• print ( )

  Prints the document using the defaults printer and printer settings

• removeAttachment ( String aName ): Boolean

  Returns true if no error.

  • String aName

• selectedMolTableItems ( ): Array

  Returns an array of selected items in the table of compounds

  See also: setSelectedMolTableItems

• selectedPages ( ): Array

  Returns array of currently selected pages

  See also: selection, setSelectedPages, setSelection

• selection ( ): Array

  Returns array of currently selected page items

• setActiveItem ( PageItem aItem )

  Marks the aItem as active

  • PageItem aItem

  See also: getActiveItem

• setAttachment ( String aName, Attachment aAttachment ): Boolean

  Returns true if no error.

  • String aName
  • Attachment aAttachment

• setCurPage ( Page Number String aPage )

  Sets current page to aPage

  • Page Number String aPage

    - It can be either a Page object, a page index or a page uuid

  See also: curPage, setCurPageIndex

• setCurPageIndex ( Number aPageIndex )

  Sets current page index to aPageIndex

  • Number aPageIndex

  See also: curPage, setCurPage

• setSelectedMolTableItems ( Array aItems )

  Marks the aItems as selected in the table of compounds

  • Array aItems

  See also: selectedMolTableItems

• setSelectedPages ( Array aPages )

  Marks the aPages as selected.

  • Array aPages

    - An array of Page objects, page indexes or page uuids

  See also: selectedPages, selection, setSelection

• setSelection ( Array aItems )

  Marks the aItems as selected

  • Array aItems

• update ( )

  Refresh the current page

DoubleSpinBox

Index

Provides spinbox widget to select floating point values

Properties:

• decimals: Number

  Number of decimals shown in the spin box

• enabled: Boolean

  True if the widget is enabled

• maximum: Number

  Maximum allowed value

• minimum: Number

  Minimum allowed value

• prefix: String

  Prefix added to the number

• singleStep: Number

  Step value

• suffix: String

  Suffix added to the number

• value: Number

  Current value in the spin box

Signals:

• signal valueChanged: Number
  

  Emitted when the value changes

DrawPlugin

Index

Object to add text objects to the document

Constructors:

• DrawPlugin ( DrawPlugin aDrawPlugin )

  • DrawPlugin aDrawPlugin

Functions:

• arrow ( Number aStartX, Number aStartY, Number aEndX, Number aEndY, Boolean aShowStartHead, Boolean aShowEndHead ): Arrow

  Adds an arrow to the document

  • Number aStartX

    - X coordinate of the starting point

  • Number aStartY

    - Y coordinate of the starting point

  • Number aEndX

    - X coordinate of the ending point

  • Number aEndY

    - Y coordinate of the ending point

  • Boolean aShowStartHead

    - Show start head

  • Boolean aShowEndHead

    - Show end head

• ellipse ( Number aWidth, Number aHeight ): Ellipse

  Adds an ellipse to the document

  • Number aWidth

    - Width

  • Number aHeight

    - Height

• rectangle ( Number aWidth, Number aHeight ): Rectangle

  Adds a rectangle to the document

  • Number aWidth

    - Width

  • Number aHeight

    - Height

• text ( String aText, Boolean aIsHtml ): Text

  Adds a text box to the document

  • String aText

    - Text

  • Boolean aIsHtml

    - HTML text

• toPixmap ( PageItem | Array | Page aObj, Number aDpi ): Pixmap

  • PageItem | Array | Page aObj
  • Number aDpi

• toString ( ): String

Ellipse

Index

Ellipse page item

Inherits PageItem

Constructors:

• Ellipse ( Ellipse aEllipse )

  • Ellipse aEllipse

Functions:

• toString ( ): String

File

Index

Properties:

• absDirPath: String

  Returns the absulute path of the file's parent directory

• exists: Boolean

  Returns true if the file exists

• name: String

  Retruns the file name

• size: Number

  Returns the file size

Constructors:

• File ( String aFileName )

  Constructs a new file object to represent the file with the given aFileName

  • String aFileName

• File ( File aFile )

  Constructs a copy of the aFile

  • File aFile

Functions:

• File.absDirPath ( String aFileName ): String

  Returns the absulute path of the file's parent directory

  • String aFileName

• close ( ): Boolean

  Closes the file and sets its open mode to File.NotOpen

• File.copy ( String aFileName, String aNewFileName ): Boolean

  Copies the file aFileName to aNewFileName. Returns true if successful

  • String aFileName
  • String aNewFileName

• File.create ( String aFileName ): Boolean

  Creates the file specified by the given aFileName. Returns true if successful

  • String aFileName

• File.exists ( String aFileName ): Boolean

  Returns true if the aFileName exists

  • String aFileName

• open ( Number aMode ): bool

  Opens the file using aMode mode, returning true if successful

  • Number aMode

    - This enum is used to describe the mode in which a file is opened

    Valid values: {File.Append, File.NotOpen, File.ReadOnly, File.ReadWrite, File.WriteOnly}

• File.permissions ( String aFileName ): Number

  Returns the complete OR-ed together combination of file's permissions.

  • String aFileName

  See also: File.setPermissions, permissions

• permissions ( ): Number

  Returns the complete OR-ed together combination of file's permissions.

  See also: File.permissions, setPermissions

• remove ( ): Boolean

  Removes the file. Returns true if successful. The file has to be closed before it is removed

• File.remove ( String aFileName ): Boolean

  Removes the file specified by the given aFileName. Returns true if successful

  • String aFileName

• File.rename ( String aOldFileName, String aNewFileName ): Boolean

  Renames the file aOldFileName to aNewFileName. Returns true if successful

  • String aOldFileName
  • String aNewFileName

• setPermissions ( Number aPermissions ): Boolean

  Sets the permissions for the file to the aPermissions specified. Returns true if successful, or false if the permissions cannot be modified.

  • Number aPermissions

    - The complete OR-ed together combination of file's permissions

    Valid values: {File.ExeGroup, File.ExeOther, File.ExeOwner, File.ExeUser, File.ReadGroup, File.ReadOther, File.ReadOwner, File.ReadUser, File.WriteGroup, File.WriteOther, File.WriteOwner, File.WriteUser}

  See also: File.setPermissions, permissions

• File.setPermissions ( String aFileName, Number aPermissions ): Boolean

  Sets the permissions for the aFileName to the aPermissions specified. Returns true if successful, or false if the permissions cannot be modified.

  • String aFileName
  • Number aPermissions

    - The complete OR-ed together combination of file's permissions

    Valid values: {File.ExeGroup, File.ExeOther, File.ExeOwner, File.ExeUser, File.ReadGroup, File.ReadOther, File.ReadOwner, File.ReadUser, File.WriteGroup, File.WriteOther, File.WriteOwner, File.WriteUser}

  See also: File.permissions, setPermissions

FileDialog

Index

The FileDialog object provides methods that allow users to select files or directories

Constructors:

Functions:

• FileDialog.getExistingDirectory ( String aStartDirectory, String aDialogTitle ): String

  The function creates a directory open dialog and returns an existing directory name selected by the user

  • String aStartDirectory
  • String aDialogTitle

• FileDialog.getOpenFileName ( String aFileFilter, String aDialogTitle, String aWorkingDirectory ): String

  The function creates a file open dialog and returns an existing file name selected by the user

  • String aFileFilter
  • String aDialogTitle
  • String aWorkingDirectory

• FileDialog.getOpenFileNames ( String aFileFilter, String aDialogTitle, String aWorkingDirectory ): Array

  The function creates a multiple file open dialog and returns one or more existing file names selected by the user

  • String aFileFilter
  • String aDialogTitle
  • String aWorkingDirectory

• FileDialog.getSaveFileName ( String aFileFilter, String aDialogTitle, String aWorkingDirectory, Number aFlag ): String

  The function creates a file save dialog and returns a file name selected by the user

  • String aFileFilter
  • String aDialogTitle
  • String aWorkingDirectory
  • Number aFlag

    - This flag is used to select the options of use of the dialog. It stores a combination of the following values:

    Valid values: {"1" Only show directories in the file dialog. By default both files and directories are shown. (Valid only in the Directory file mode.), "10" Don't use the native file dialog. By default, the native file dialog is used., "2" Don't resolve symlinks in the file dialog. By default symlinks are resolved., "20" Indicates that the model is readonly., "4" Don't ask for confirmation if an existing file is selected. By default confirmation is requested., "40" Indicates if the file name filter details are hidden or not.}

  
  				var filename = FileDialog.getSaveFileName("*.txt","Choose file","c:\temp\file.txt",4)
  				//Don't ask for confirmation if an existing file is selected;
  			

FileInfo

Index

Object that contains information about a file or a directory

Properties:

• absoluteFilePath: String

  Returns an absolute path including the file name.

• baseName: String

  Returns the file name exclude the extension.

• created: Date

  Returns the date and time when the file was created.

• exists: Boolean

  Returns true if the file exists; otherwise returns false.

• fileName: String

  Returns the name of the file, excluding the path.

• isDir: Boolean

  Returns an absolute path including the file name.

• isFile: Boolean

  Returns an absolute path including the file name.

• lastModified: Date

  Returns the date and time when the file was last modified.

• lastRead: Date

  Returns the date and time when the file was last read.

• path: String

  Returns the file's path. This doesn't include the file name.

• size: Number

  Returns the file size in bytes. If the file does not exist or cannot be fetched, 0 is returned.

• suffix: String

  Returns the extension of the file name.

FileSystemWatcher

Index

Object that emits signals whenever a directory or a file is modified

Properties:

• delay: Number

  When using directoryChangedExt, this is the number of miliseconds that the object will wait to check whether the modifications in a file have finished. By default 100ms.

  See also: directoryChangedExt

• filters: Number

  When using directoryChangedExt, the kind of paths we are looking for

  Valid values: {Dir.AccessMask, Dir.All, Dir.Dirs, Dir.Drives, Dir.Executable, Dir.Files, Dir.Hidden, Dir.Modified, Dir.NoSymLinks, Dir.Readable, Dir.RWEMask, Dir.System, Dir.TypeMask, Dir.Writable}

  See also: Dir.entryList, directoryChangedExt

• ignoreOld: Boolean

  When using directoryChangedExt, if this value is set to true, all the files already present in the directory are ignored until they are modified. By default false.

  See also: directoryChangedExt

• maxDepth: Number

  When using directoryChangedExt, this value controls how deep in the directory tree the watcher goes looking for modified files, 0 means looking only in the top directory. Big values could affect the performance. By default 2.

  See also: directoryChangedExt

• maxNotifyDepth: Boolean

  Maximum depth in the file system for which notifications when adding directories to the cache are emitted. The bigger the number better information but poorest performance. 2 by default, -1 to disable notifications

• maxOldDays: Number

  Files or directories older than this amount of days will be ignored. By default is zero which means that all are taken into account.

• nameFilters: Array

  When using directoryChangedExt, this value specifies an array of wildcards to filter the modified paths.

  See also: directoryChangedExt

• paths: Array

  Array of watched paths

• timeOutMinutes: Number

  If different from zero makes the FileSystemWatcher to periodically check for modifications in the watched directories even if the OS did not report any change. When the timeout is triggered all the files in all the watched directories are checked for changes, this can consume a lot of resources if there are a lot of directories and timeOutMinutes is small, anyway setting this to a reasonable not zero value and useSystemBackend to false makes the FileSystemWatcher to consume in general less system resources. It is 0 by default (disabled).

  See also: useSystemBackend

• useFastHash: Boolean

  Only uses the modification date of the file when checking for changes. By default false.

• useMultiThread: Boolean

  Tries to use several thread when creating the file cache

• useSystemBackend: Boolean

  Rely on the OS to know when changes were made in the watched directories. If true, changes in the file system are inmediatly reported to the user. If you are working with network shared units you might use timeOutMinutes in addition to this because depending on the configuration the OS could not report the changes. Setting this to false and timeOutMinutes to a reasonable not zero value makes the FileSystemWatcher to consume in general less system resources. It is true by default.

  See also: timeOutMinutes

Signals:

• signal cacheEnd:
  

  Cache building process ends

• signal cacheStart:
  

  Cache building process starts

• signal directoryAddedToCache: String
  

  Emitted when the directory of parameter was added to the cache

• signal directoryChangedExt: String Array
  

  Emitted when something in a watched directory has been modified, the first argument is the path of the directory, the second one is the array with the absolute paths of the modified files or directories that fulfill the condition specified in the properties.

• signal fileChanged: String
  

  Emitted when the file at the path sent as parameter has been modified

Constructors:

• FileSystemWatcher ( Array aPathArray )

  Constructs an object that watches the specified paths

  • Array aPathArray

    - Array of paths

Functions:

• addPath ( String aPath )

  Adds a path to be watched.

  • String aPath

• removePath ( String aPath )

  Removes a path from the watched list.

  • String aPath

FitRegion

Index

Enumerations:

• Parameter: Number = {Center, Height, Shape, Width}

Properties:

• error: Number

• from: Number

• name: String

• peaks: Array

  A peak id's (Strings) array

  See also: Peak.id

• to: Number

Constructors:

• FitRegion ( FitRegion aFitRegion )

  • FitRegion aFitRegion

• FitRegion ( Number aFrom, Number aTo )

  • Number aFrom
  • Number aTo

• FitRegion ( Number aFrom, Number aTo, NMRSpectrum aSpc )

  The peak list will be initialized using the peaks in the spectrum

  • Number aFrom
  • Number aTo
  • NMRSpectrum aSpc

Functions:

• calculateError ( NMRSpectrum aSpectrum )

  Updates the error field using the parameter to calculate it

  • NMRSpectrum aSpectrum

• isParameterLocked ( Number aParameter, String aPeakId ): Boolean

  Checks if a peak parameter is locked

  • Number aParameter

    - Indicates which parameter to check

    See also: FitRegion.Parameter

  • String aPeakId

    - Indicates the peak to be checked.

    See also: Peak.id

• lockParameter ( Boolean aLock, Number aParameter, [String aPeakId] )

  Locks/Unlocks a peak parameter when fitting

  • Boolean aLock

    - If true locks the parameter, if false unlocks it

  • Number aParameter

    - Indicates which parameter to lock

    See also: FitRegion.Parameter

  • String aPeakId [optional]

    - If provided, locks the parameter for that peak. If not provided locks the parameter in all the peaks

    See also: Peak.id

• toString ( ): String

Graph

Index

Graph Object

Properties:

• fitModels: Array [read-only]

  Array of GraphFitModel objects that describe the fit applied to each serie. It can have undefined values

  See also: GraphFitModel

• responseFactor: GraphResponseFactor [read-only]

  Response factor of the graph

• seriesCount: Number [read-only]

  Number of series in the object

• specIds: Array [read-only]

  Array of ids of the spectrums represented in the graph

• xData: Array [read-only]

  Array of the x values

• yData: Array [read-only]

  Array of the y values

• yModels: Array [read-only]

  Array of GraphYModel objects that describe each one of the series

  See also: GraphYModel

Constructors:

Functions:

• fitSerieToBest ( aSerie )

  Fit the the serie to the best possible fit (minimum MSE)

  • aSerie

    - Serie number to be fitted

• toXML ( ): String

  Returns an XML representation of the object

GraphFitModel

Index

Object that describes the fitting information of each serie of the graph

See also: Graph

Enumerations:

• FitFunction: Number = {FirstOrder, MonoExponential, SecondOrder, ZeroOrder}

Properties:

• fitParams: Object

  Each one of the properties of this object is the value of one fitted parameter

• fomula: String

  Formula to be fitted

Constructors:

• GraphFitModel ( Number aFitFunction )

  • Number aFitFunction

    See also: GraphFitModel.FitFunction

• GraphFitModel ( String aFormula, Object aFitParams )

  • String aFormula

    See also: GraphFitModel.formula

  • Object aFitParams

    See also: GraphFitModel.fitParams

Functions:

• toString ( ): String

GraphResponseFactor

Index

Object that describes the response factor the graph

See also: Graph

Enumerations:

• Mode: Number = {Formula, InitialConcentration, PULCON}

Properties:

• func: Object

  Object that describes the equation to obtain the concentration. It has two properties. It has two parameters, formula is the equation and parameters an object in which the properties are the default value of the parameters

• InitConcentration: Number

  Initial Concetration

• mode: Number

  Mode of this response factor

  See also: GraphResponseFactor.Mode

• PULCON: Number

  PULCON factor

• units: String

  Concetration Units

Constructors:

• GraphResponseFactor ( Number aMode, Number aValue )

  Depending on the value of aMode constructs a Response Factor of type InitConcetration or PULCON

  • Number aMode
  • Number aValue

• GraphResponseFactor ( Number aMode, String aFormula )

  Constructs a Response Factor of type Formula

  • Number aMode
  • String aFormula

Functions:

• toString ( ): String

GraphYModel

Index

Object that describes the spectral information of each serie of the graph

See also: Graph

Enumerations:

• ExtractMode: Number = {emConcentration, emIntegral, emMaxPeakInt, emMaxPeakPos, emNone, emPeakInt, emShift}

Properties:

• extractMode: Number

  See also: ExtractMode

• f1From: Number

  Spectrum region limit

• f1To: Number

  Spectrum region limit

• label: String

  Label of the Serie

• nNuclides: Number

  Number of nuclides in this region

Constructors:

• GraphYModel ( aMod, from, to, nNuclides )

  • aMod

    See also: GraphYModel.extractMode

  • from

    See also: GraphYModel.f1From

  • to

    See also: GraphYModel.f1To

  • nNuclides

    See also: GraphYModel.nNuclides

Functions:

• toString ( ): String

GroupBox

Index

Provides a group box frame with a title

Properties:

• checkable: Boolean

  True if the group box is checkable

• checked: Boolean

  True if the group box is checked

• enabled: Boolean

  True if the widget is enabled

• title: String

  Title of the group box

Signals:

• signal toggled: Boolean
  

  Emitted when the toggle state changes

Constructors:

• GroupBox ( )

Functions:

• add ( Widget aWidget )

  Adds a Widget to the group box

  • Widget aWidget

GSDMultiplet

This object is deprecated. Use Multiplet object instead.

Index

A GSD multiplet

Properties:

• centroid: Number [read-only]

  The multiplet's centroid in ppm's

• effPeaks: Number [read-only]

  The number of effective peaks in the multiplet

• integral: Number [read-only]

  The multiplet's integral

• kurtosis: Number [read-only]

  The multiplet's kurtosis

• rmsWidth: Number [read-only]

  The multiplet's RMS width in ppm's

• skewness: Number [read-only]

  The multiplet's skewness

GSDMultiplets

This object is deprecated. Use Multiplets object instead.

Index

A object holding a list of GSD multiplets

Properties:

• count: Number [read-only]

  The count of GSD multiplets in the list.

• length: Number [read-only]

  A synonym of count.

  See also: GSDMultiplets.count

• totalIntegral: Number [read-only]

  The sum of the integrals of each multiplet.

Constructors:

Functions:

• at ( Number aIndex ): GSDMultiplet

  Gets a GSD multiplet at a specified index.

  • Number aIndex

    - The index of the GSD multiplet in the list. From 0 to count - 1

GSDPeak

This object is deprecated. Use Peak object instead.

Index

A GSD peak

Enumerations:

• Flags: Number = {C13Satellite, Hidden, Labile, None, Rotational, Weak}

• Types: Number = {Artifact, Compound, Impurity, QReference, Solvent, SReference}

Properties:

• area: Number [read-only]

  The peak's area

• center: Number [read-only]

  The peak's center position in ppm's

• flags: GSDPeak.Flags

  The peak's flags.

• height: Number [read-only]

  The peak's height

• phase: Number [read-only]

  The peak's phase value

• type: GSDPeak.Types

  The peak's type.

• width: Number [read-only]

  The peak's width in ppm's

Constructors:

Functions:

• setFlag ( GSDPeak.Flags aFlag, [Boolean aEnable] )

  Sets/Resets a flag from Flags enumeration

  • GSDPeak.Flags aFlag

    - The flag to set/reset

  • Boolean aEnable [optional]

    - If true, the flag is set, else the flag is reset. By default it's true.

GSDPeaks

This object is deprecated. Use Peaks object instead.

Index

A object holding a list of GSD peaks

Properties:

• count: Number [read-only]

  The count of GSD peaks in the list.

• length: Number [read-only]

  A synonym of count.

  See also: GSDPeaks.count

Constructors:

Functions:

• at ( Number aIndex ): GSDPeak

  Gets a GSD peak at a specified index.

  • Number aIndex

    - The index of the GSD peak in the list. From 0 to count - 1

InputDialog

Index

This object provides convenience functions to get simple type input dialogs. All the dialogs return undefined when the user presses "Cancel"

Constructors:

Functions:

• InputDialog.getDouble ( String aTitle, String aLabel, Number aValue, Number aMin, Number aMax, Number aDecimals ): Number

  • String aTitle
  • String aLabel
  • Number aValue
  • Number aMin
  • Number aMax
  • Number aDecimals

• InputDialog.getInt ( String aTitle, String aLabel, Number aValue, Number aMin, Number aMax, Number aStep ): Number

  • String aTitle
  • String aLabel
  • Number aValue
  • Number aMin
  • Number aMax
  • Number aStep

• InputDialog.getItem ( String aTitle, String aLabel, Array aItems, Number aCurrent, Boolean aEditable ): String

  • String aTitle
  • String aLabel
  • Array aItems
  • Number aCurrent
  • Boolean aEditable

• InputDialog.getText ( String aTitle, String aLabel, LineEdit.EchoMode aEchoMode, String aText ): String

  • String aTitle
  • String aLabel
  • LineEdit.EchoMode aEchoMode
  • String aText

Integral

Index

Properties:

• calculationParams: Object [read-only]

  The parameters used to calculate the integral. The object has the following properties:

  • 'method' as a String and valid values {"Sum", "Peaks", "SumEdited"}. The method of calculation.
  • 'peaksInc' as a Number. The flags telling which peaks to include in the calculus. Only relevant for "Peaks" and "SumEdited" methods.
  • 'peaksExc' as a Number. The flags telling which peaks to exclude in the calculus. Only relevant for "Peaks" and "SumEdited" methods.
  • 'ellipticalShape' as a Boolean. Only relevant for 2D spectra. If true the integral shapes are elliptical instead of rectangular.

• id: String [read-only]

  The integral region UUID (unique identifier)

Constructors:

• Integral ( Integral aIntegral )

  • Integral aIntegral

• Integral ( NMRSpectrum aSpectrum, SpectrumRegion aSpectrumRegion, Boolean aEllipse = true )

  • NMRSpectrum aSpectrum
  • SpectrumRegion aSpectrumRegion
  • Boolean aEllipse

    - 2D integration region. 'true' - ellipse, 'false' - rectangle.

Functions:

• integralValue ( Number aNormFactor ): Number

  • Number aNormFactor

• rangeMax ( Number aDim ): Number

  • Number aDim

• rangeMin ( Number aDim ): Number

  • Number aDim

• toString ( ): String

Integrals

Index

Properties:

• count: Number

  Number of integrals

• normValue: Number

  Integrals normalization factor

Constructors:

• Integrals ( )

  Constructs an empty list

• Integrals ( Integrals aIntegralList )

  • Integrals aIntegralList

Functions:

• append ( Integral aIntegral )

  • Integral aIntegral

• at ( Number aIndex ): Integral

  Returns integral at the position aIndex

  • Number aIndex

• clear ( )

• findIntegral ( String aId ): Integral

  Finds integral by id

  • String aId

• removeAt ( Number aIndex )

  • Number aIndex

• toString ( ): String

JList

Index

Properties:

• count: Number

• length: Number

Constructors:

• JList ( )

  Constructs an empty list

• JList ( JList aJList )

  • JList aJList

Functions:

• append ( Number aJ )

  • Number aJ

• at ( ): Number

• clear ( )

• removeAt ( Number aIndex )

  • Number aIndex

• sort ( Boolean bAscending )

  • Boolean bAscending

• toString ( ): String

LayoutTemplate

Index

LayoutTemplate page item

Inherits PageItem

Properties:

• managedName: String [read-only]

  Managed item name

LineEdit

Index

Provides one-line text editor with a label

Enumerations:

• EchoMode: Number = {NoEcho, Normal, Password, PasswordEchoOnEdit}

Properties:

• echoMode: LineEdit.EchoMode

  Describes how the line edit should display its contents.

• enabled: Boolean

  True if the widget is enabled

• label: String

  Label of the line edit

• text: String

  Text on the edit line

ListWidget

Index

Shows Items in a List

Properties:

• items: Array

  Array of items in the widget. Each item contains information about its state.

• selectedRows: Array [read-only]

  Array of selected rows

• selection: Array [read-only]

  Array of selected items

Signals:

• signal itemSelectionChanged:
  

  Signal emitted when selection changes

MainWindow

Index

Main window object

Properties:

• activeDocument: Document

  Gets/sets current (active) document

• enableUndo: Boolean

  Enables/Disables the undo framework of the application. Disabling this is useful in order to save memory.

• hasGui: Boolean

Constructors:

• MainWindow ( MainWindow aMainWnd )

  • MainWindow aMainWnd

Functions:

• abort ( )

  Aborts execution of script

• addDocument ( Document aDocument )

  • Document aDocument

    - Adds a document to the document list and makes it active.

• blockEventHandlers ( String aEvent, Boolean aBlock ): Boolean

  Block all event handlers of the aEvent. Returns old block state of the aEvent.

  • String aEvent

    - If empty then blocks all events. Otherwise blocks the aEvent only.

  • Boolean aBlock

  See also: installEventHandler

• clearStatusMessage ( )

  Clears any message from the status bar after a call to setStatusMessage.

• doAction ( String aActName )

  Performs a GUI action

  • String aActName

    - See list of actions

• documents ( ): Array

  Returns array of all open documents.

• endBusy ( )

  Clears any message from the status bar and restores the normal application cursor.

  See also: setBusy

• getObject ( String aObjectName )

  Get an object of the main window

  • String aObjectName

    - The name of the object

• installEventHandler ( String aEventName, String aFunctionName )

  Install a new event handler

  • String aEventName

    - Name of the event

    Valid values: {"dbItemsPasted", "KeyPress", "MouseButtonDblClick", "MouseButtonPress", "MouseButtonRelease", "MouseMove", "msChromPeaksChanged", "msSpectrumImported", "nmrAssignmentHighlighted", "nmrAssignmentMade", "nmrIntegralChanged", "nmrMultipletChanged", "nmrMultipletHighlighted", "nmrSpectrumChanged", "nmrSpectrumImported", "selectionChanged", "ShortcutOverride", "verificationResult"}

  • String aFunctionName

    - Name of the function that will be called when the event occurs

  See also: blockEventHandlers

• newDocument ( ): Document

  Creates a new document window.

• processEvents ( )

  Process the UI events

• registerDockWidget ( String aDockWidgetName, String aTitle, String aCategory, function aCreationFunction )

  • String aDockWidgetName

    - A name used as identifier for this dock widget. It must be unique.

  • String aTitle

    - The title for the dock widget and the name shown in the tables dialog

  • String aCategory

    - The category name under it's shown in the tables dialog

  • function aCreationFunction

    - A function that must return a widget object which will be the dock widget contents

• removeEventHandler ( String aEventName, String aFunctionName )

  Remove a event handler

  • String aEventName

    - Name of the event

    Valid values: {"dbItemsPasted", "KeyPress", "MouseButtonDblClick", "MouseButtonPress", "MouseButtonRelease", "MouseMove", "nmrAssignmentHighlighted", "nmrAssignmentMade", "nmrIntegralChanged", "nmrMultipletChanged", "nmrMultipletHighlighted", "nmrSpectrumImported", "ShortcutOverride"}

  • String aFunctionName

    - Name of the function that will be removed from the event handlers

  See also: blockEventHandlers

• restoreCursor ( )

  Restores the application cursor to its normal state after a call to setWaitCursor.

  See also: endBusy, setWaitCursor

• setBusy ( String aMessage )

  Displays the given message in the status bar and sets the application cursor to the Wait Cursor. Each call to setBusy must eventually be followed by a call to endBusy.

  • String aMessage

    - The message to be displayed in the status bar

  See also: endBusy

• setStatusMessage ( String aMessage )

  Displays the given message in the status bar.

  • String aMessage

    - The message to be displayed

  See also: clearStatusMessage, setBusy

• setWaitCursor ( )

  Sets the application cursor to the Wait Cursor, indicating that the script is busy performing some task. Each call to setWaitCursor must eventually be followed by a call to restoreCursor.

  See also: restoreCursor, setBusy

• sleep ( Number aTime )

  Stops execution of script for aTime miliseconds

  • Number aTime

    - Time in miliseconds

• waitForInput ( String aText, String aWindowTitle = "" )

  Stops the execution of the script and waits for some user action.

  • String aText

    - Text to be shown in the dialog.

  • String aWindowTitle

    - Title of the dialog.

MassAdductPair

Index

An adduct and a loss pair using chemical formulae and charge notation

Properties:

• adduct: String [read-only]

  An adduct given by its atom/chemical formula with charge notation (H+)

• loss: String [read-only]

  A loss given by its atom/chemical formula with charge notation (H+)

MassChromPeak

Index

A chromatogram's peak.

Properties:

• area: Number

  The peak's area

• center: Object

  The peak's center position as an object. The position will be hold in object's properties 'x' and 'y'

• end: Object

  The peak's end baseline position as an object. The position will be hold in object's properties 'x' and 'y'

• height: Number

  The peak's height

• start: Object

  The peak's start baseline position as an object. The position will be hold in object's properties 'x' and 'y'

• type: MassItem.ChromatogramPeakType

  The peak's type

MassChromPeakPurityOptions

Index

Object to get/set the chromatographic peak purity settings

Properties:

• chromatogramsCount: Number

  The number of highest ions to be extracted

• tolerance: Number

  The tolerance in Da used to calculate the coadded mass spectrum and the extracted ion chromatograms

MassChromPeakPurityResult

Index

Object to read the chromatographic peak purity result

Properties:

• eicData: Array [read-only]

  An array of objects containing the EIC (Extracted Ion Chromatogram) data. One item per extracted chromatogram. Each item is an object with two properties:

  • mass: The extracted mass in Da
  • area: The EIC area in the range (Divided by the totalArea and multiplied by 100, it will give the abundance

• range: Object [read-only]

  An object with two properties: from, to. It tells the retention time range in minutes used to calculate the peak purity.

• totalArea: Number [read-only]

  The TIC total area in the range

• valid: Boolean [read-only]

  Tells if the result is valid/empty or not.

MassElCompResult

Index

A elemental composition result object

Properties:

• absErr: Number

  Absolute (unsigned) error (in ppm) between calculated and target masses

• dbe: Number

  Calculated double bond equivalent value for the formula. DBE = (2 * #C + #N - #H - #X + 2) / 2, where X = F, Cl, Br, I

• fitness: Number

  Fitness score from 1.0 (perfect match) to 0.0 (no match). Fitness is computed by matching the experimental isotope cluster to the computed cluster for the formula, taking into account both m/z and intensity.

• formula: String

  Chemical formula in Hill-sorted order

• mass: Number

  The calculated mass

• mDaErr: Number

  Signed error in mDa between calculated and target masses

• ppmErr: Number

  Signed error in ppm between calculated and target masses

MassElCompSettings

Index

The elemental composition settings

Properties:

• Adduct: String

  An adduct using chemical formulae and charge notation. Adducts are typically found in soft ionization techniques such as ESI. Proton (H) is most common for organic compounds, while H and/or Na (or other Group 1A alkali metal cation) may be found in protein, peptide, or polymer spectra.

• chargeState: Number

  Charge state is a signed integer. The magnitude (1, 2, 3, ...) is a function of the experimental ionization technique, while the sign (+/-) is determined by the mode in which the experimental spectrum was produced and detected.

• dbe: Object

  Double bond equivalents range. The object will have two properties: 'min' and 'max'

  
  				// Getting dbe
  				var myDBE = msItem.elementalComp.settings.dbe;
  				print(myDBE.min);
  				print(myDBE.max);
  				// Setting dbe
  				myDBE.min = 1.5;
  				myDBE.max = 25;
  				msItem.elementalComp.settings.dbe = myDBE;
  				// Setting dbe using another way
  				var myDBE2 = new Object();
  				myDBE2.min = -0.5;
  				myDBE2.max = 50.0;
  				msItem.elementalComp.settings.dbe = myDBE2;
  			

• electronMode: String

  Electron mode can be even, odd, or both. Typically, EI (electron impact) produces negatively-charged, odd electron ions, whereas ESI produces even-electron ions with either a positive or negative charge.

  Valid values: {"All", "Even", "Odd"}

• elements: Array

  An array of element count constraints

• fitnessTheshold: Number

  The fitness threshold. Results that match the other criteria but have fitness lower than this threshold will be discarded.

• maxResults: Number

  Maximum number of results to return. Results will all satisfy the other constraints

• tolerance: Object

  Tolerance for matching computed composition to the target m/z. The object must have the properties:

  • 'units' as a String and valid values {"Da", "ppm"}
  • 'value' as a Number

  
  				// Getting tolerance
  				var tol = msItem.elementalComp.settings.tolerance;
  				print(tol.units);
  				print(tol.value);
  				// Setting tolerance
  				tol.units = "ppm";
  				tol.value = 10;
  				msItem.elementalComp.settings.tolerance = tol;
  				// Setting tolerance using another way
  				var tol2 = new Object();
  				tol2.units = "Da";
  				tol2.value = 0.5;
  				msItem.elementalComp.settings.tolerance = tol2;