chemaxon.formats.documents.jchemexcel

Class StructureToJC4XL

java.lang.Object

chemaxon.formats.documents.jchemexcel.StructureToJC4XL

public class StructureToJC4XL
extends Object

Adds molecule/structure data to a JChemExcel workbook. example for adding multiple structures in a row ... c.setStartRow(r.getRowNum()); c.setStartColumn(1); c.addStructure(s, "utf8", m.getInputFormat()); c.setStartRow(r.getRowNum()); c.setStartColumn(2); c.addStructure(s, "utf8", m.getInputFormat(), p); c.setStartColumn(0);

Since:

Marvin 5.11

Author:

Andras Kovacs

Constructor Summary

Constructors

Constructor and Description
StructureToJC4XL(OutputStream output) Constructor for adding molecule/structure data one-by-one to store them in a JChemExcel workbook.
StructureToJC4XL(Workbook wb, OutputStream output)

Method Summary

Methods

Modifier and Type	Method and Description
void	addPropertyColumnName(String propertyName, String displayName) Sets the displayed name in the header column of the given property
Row	addStructure(byte[] structure, String fmt) A single structure can be added to the worksheet, in the current row
Row	addStructure(byte[] structure, String fmt, Map<String,String> properties) A single structure can be added to the worksheet, in the current row
Row	addStructure(byte[] structure, String fmt, Map<String,String> properties, String id, boolean showId) A single structure can be added to the worksheet, in the current row
Row	addStructure(byte[] structure, String fmt, String id, boolean showId) A single structure can be added to the worksheet, in the current row
Row	addStructure(Molecule mol, String fmt) A single structure can be added to the worksheet, in the current row
Row	addStructure(Molecule mol, String fmt, String id, boolean showId) A single structure can be added to the worksheet, in the current row
Row	addStructure(String structure, String encoding, String fmt) A single structure can be added to the worksheet, in the current row
Row	addStructure(String structure, String encoding, String fmt, Map<String,String> properties) A single structure can be added to the worksheet, in the current row
Row	addStructure(String structure, String encoding, String fmt, Map<String,String> properties, String id, boolean showId) A single structure can be added to the worksheet, in the current row
Row	addStructure(String structure, String encoding, String fmt, String id, boolean showId) A single structure can be added to the worksheet, in the current row
void	clearAllCellStyle() Clears all the previously set cell style of the property columns
void	clearAllColumnWidth() Clears all the previously set width of the property columns
void	clearPropertyColumnNames() Clears the display name list of properties
void	finalize()
void	finish() Finishes the export operation, the workbook flushed and closed
CellStyle	getDefaultStyle() Returns the style applied for the value cells of the columns having no explicit formatting.
CellStyle	getHeaderStyle() returns the cell style applied to the header row
String	getSheetName() Returns the sheet name the structures added to.
int	getStartColumn()
int	getStructureCellHeight()
int	getStructureCellWidth()
int	getStructureColumnIndex()
String	getStructureColumnName()
Workbook	getWorkbook() Returns the Workbook object model instance
static Workbook	readWorkbook(InputStream input) Loads a workbook from an InputStream
void	setCellStyle(String propertyName, CellStyle cellStyle) Sets the cell style of the property column with the given name
void	setColumnWidth(String propertyName, int width) Sets the column width of property column with the given name
void	setDefaultStyle(CellStyle style) Sets the cell style applied for the value cells of the columns having no explicit formatting.
void	setHeaderStyle(CellStyle cellStyle) Sets the cell style for the header row
void	setSheetName(String sheetName) Sets the sheet name the structures/molecules added to.
void	setStartColumn(int startColumn)
void	setStartRow(int startRow)
void	setStructureCellHeight(int height) Sets the height of the structure cell.
void	setStructureCellWidth(int width) Sets the width of the structure cell in 1/256 of normal character width.
void	setStructureColumnIndex(int idx)
void	setStructureColumnName(String name)
void	showHeader(boolean show)

Methods inherited from class java.lang.Object

clone, equals, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

StructureToJC4XL

public StructureToJC4XL(Workbook wb,
                OutputStream output)
                 throws FileNotFoundException,
                        chemaxon.license.LicenseException,
                        IOException

Throws:

FileNotFoundException

chemaxon.license.LicenseException

IOException

StructureToJC4XL

public StructureToJC4XL(OutputStream output)
                 throws FileNotFoundException,
                        chemaxon.license.LicenseException

Constructor for adding molecule/structure data one-by-one to store them in a JChemExcel workbook. Structures/molecules can be added using addStructure() method overloads.

Parameters:

output - the stream to be written the workbook to

Throws:

FileNotFoundException

chemaxon.license.LicenseException

Method Detail

readWorkbook

public static Workbook readWorkbook(InputStream input)
                             throws IOException

Loads a workbook from an InputStream

Parameters:

input - stream for an existing workbook

Returns:

the workbook instance created

Throws:

IOException

setDefaultStyle

public void setDefaultStyle(CellStyle style)

Sets the cell style applied for the value cells of the columns having no explicit formatting. Create a CellStyle object with getWorkbook().createCellStyle();

Parameters:

style - the CellStyle to set

getDefaultStyle

public CellStyle getDefaultStyle()

Returns the style applied for the value cells of the columns having no explicit formatting.

Returns:

the cell style

setStructureCellWidth

public void setStructureCellWidth(int width)

Sets the width of the structure cell in 1/256 of normal character width. "Actual column width measured as the number of characters of the maximum digit width of the numbers 0, 1, 2, ..., 9 as rendered in the normal style's font."

Parameters:

width - width of the cell

getStructureCellWidth

public int getStructureCellWidth()

Returns:

the width of the structure cell

setStructureCellHeight

public void setStructureCellHeight(int height)

Sets the height of the structure cell.

getStructureCellHeight

public int getStructureCellHeight()

Returns:

the height of the structure cell

setStructureColumnIndex

public void setStructureColumnIndex(int idx)

getStructureColumnIndex

public int getStructureColumnIndex()

getWorkbook

public Workbook getWorkbook()

Returns the Workbook object model instance

getSheetName

public String getSheetName()

Returns the sheet name the structures added to.

setSheetName

public void setSheetName(String sheetName)

Sets the sheet name the structures/molecules added to.

setStartRow

public void setStartRow(int startRow)

Parameters:

startRow - the row number, where the insertion starts

setStartColumn

public void setStartColumn(int startColumn)

Parameters:

startColumn - the column number, where the insertion starts

getStartColumn

public int getStartColumn()

Returns:

the column number, where the insertion starts

showHeader

public void showHeader(boolean show)

Parameters:

show - a row added to the sheet containing property names as column names

setStructureColumnName

public void setStructureColumnName(String name)

Parameters:

name - sets the name of the structure column

getStructureColumnName

public String getStructureColumnName()

Returns:

the name of the structure column

addPropertyColumnName

public void addPropertyColumnName(String propertyName,
                         String displayName)

Sets the displayed name in the header column of the given property

Parameters:

propertyName - the structure/molecule property name

displayName - the name displayed in the header row for the given property

clearPropertyColumnNames

public void clearPropertyColumnNames()

Clears the display name list of properties

setColumnWidth

public void setColumnWidth(String propertyName,
                  int width)

Sets the column width of property column with the given name

Parameters:

propertyName - the name of the property

width - the desired width of the property column in 1/256 of normal character width

clearAllColumnWidth

public void clearAllColumnWidth()

Clears all the previously set width of the property columns

setCellStyle

public void setCellStyle(String propertyName,
                CellStyle cellStyle)

Sets the cell style of the property column with the given name

Parameters:

propertyName - the name of the property

cellStyle - the style to set

setHeaderStyle

public void setHeaderStyle(CellStyle cellStyle)

Sets the cell style for the header row

Parameters:

cellStyle - the style to set

getHeaderStyle

public CellStyle getHeaderStyle()

returns the cell style applied to the header row

Returns:

cell style

clearAllCellStyle

public void clearAllCellStyle()

Clears all the previously set cell style of the property columns

addStructure

public Row addStructure(Molecule mol,
               String fmt)
                 throws IOException,
                        UnsupportedOperationException

A single structure can be added to the worksheet, in the current row

Parameters:

mol - the molecule object

fmt - the format of the structure string

Returns:

the Row object created

Throws:

IOException

UnsupportedOperationException

addStructure

public Row addStructure(Molecule mol,
               String fmt,
               String id,
               boolean showId)
                 throws IOException,
                        UnsupportedOperationException

A single structure can be added to the worksheet, in the current row

Parameters:

mol - the molecule object

fmt - the format of the structure string

id - an Id for the structure also added to the cell (as =JCIDSYSStructure(...,id))

showId - shows the Id instead of the structure by default

Returns:

the Row object created

Throws:

IOException

UnsupportedOperationException

addStructure

public Row addStructure(String structure,
               String encoding,
               String fmt)
                 throws IOException,
                        UnsupportedOperationException

A single structure can be added to the worksheet, in the current row

Parameters:

structure - the molecule in string format

encoding - the structure string character encoding

fmt - the format of the structure string

Returns:

the Row object created

Throws:

IOException

UnsupportedOperationException

addStructure

public Row addStructure(String structure,
               String encoding,
               String fmt,
               String id,
               boolean showId)
                 throws IOException,
                        UnsupportedOperationException

A single structure can be added to the worksheet, in the current row

Parameters:

structure - the molecule in string format

encoding - the structure string character encoding

fmt - the format of the structure string

id - an Id for the structure also added to the cell (as =JCIDSYSStructure(...,id))

showId - shows the Id instead of the structure by default

Returns:

the Row object created

Throws:

IOException

UnsupportedOperationException

addStructure

public Row addStructure(byte[] structure,
               String fmt)
                 throws IOException,
                        UnsupportedOperationException

A single structure can be added to the worksheet, in the current row

Parameters:

structure - the molecule in binary format

fmt - the format of the structure string

Returns:

the Row object created

Throws:

IOException

UnsupportedOperationException

addStructure

public Row addStructure(byte[] structure,
               String fmt,
               String id,
               boolean showId)
                 throws IOException,
                        UnsupportedOperationException

A single structure can be added to the worksheet, in the current row

Parameters:

structure - the molecule in binary format

fmt - the format of the structure string

id - an Id for the structure also added to the cell (as =JCIDSYSStructure(...,id))

showId - shows the Id instead of the structure by default

Returns:

the Row object created

Throws:

IOException

UnsupportedOperationException

addStructure

public Row addStructure(String structure,
               String encoding,
               String fmt,
               Map<String,String> properties)
                 throws IOException,
                        UnsupportedOperationException

A single structure can be added to the worksheet, in the current row

Parameters:

structure - the molecule in string format

encoding - the structure string character encoding

fmt - the format of the structure string

properties - a list of properties, whose values will be inserted right beside the structure

Returns:

the Row object created

Throws:

IOException

UnsupportedOperationException

addStructure

public Row addStructure(String structure,
               String encoding,
               String fmt,
               Map<String,String> properties,
               String id,
               boolean showId)
                 throws IOException,
                        UnsupportedOperationException

A single structure can be added to the worksheet, in the current row

Parameters:

structure - the molecule in string format

encoding - the structure string character encoding

fmt - the format of the structure string

properties - a list of properties, whose values will be inserted right beside the structure

id - an Id for the structure also added to the cell (as =JCIDSYSStructure(...,id))

showId - shows the Id instead of the structure by default

Returns:

the Row object created

Throws:

IOException

UnsupportedOperationException

addStructure

public Row addStructure(byte[] structure,
               String fmt,
               Map<String,String> properties)
                 throws IOException,
                        UnsupportedOperationException

A single structure can be added to the worksheet, in the current row

Parameters:

structure - the molecule in binary format

fmt - the format of the structure string

properties - a list of properties, whose values will be inserted right beside the structure

Returns:

the Row object created

Throws:

IOException

UnsupportedOperationException

addStructure

public Row addStructure(byte[] structure,
               String fmt,
               Map<String,String> properties,
               String id,
               boolean showId)
                 throws IOException,
                        UnsupportedOperationException

A single structure can be added to the worksheet, in the current row

Parameters:

structure - the molecule in binary format

fmt - the format of the structure string

properties - a list of properties, whose values will be inserted right beside the structure

id - an Id for the structure also added to the cell (as =JCIDSYSStructure(...,id))

Returns:

the Row object created

Throws:

IOException

UnsupportedOperationException

finalize

public void finalize()
              throws Throwable

Overrides:

finalize in class Object

Throws:

Throwable

finish

public void finish()
            throws IOException

Finishes the export operation, the workbook flushed and closed

Throws:

IOException