Implements the 2D visualization of multiple chemical structures arranged in a grid. More...

Inheritance diagram for CDPL.Vis.StructureGridView2D:

Classes
class	Cell
	Data structure storing the contents of a grid cell. More...

Public Member Functions
None	__init__ ()
	Constructs and initializes a `StructureGridView2D` instance for the visualization of multiple chemical structures.

None	__init__ (StructureGridView2D grid_view)
	Constructs a copy of the `StructureGridView2D` instance grid_view. More...

bool	write (str file_name)

bool	write (str file_name, str fmt)

bool	write (str file_name, Base.DataFormat fmt)

bool	write (Base.OStream os, str fmt)

bool	write (Base.OStream os, Base.DataFormat fmt)

FontMetrics	getFontMetrics ()
	Returns a reference to the used font metrics object. More...

None	setCellSize (float width, float height)
	Allows to specify the desired width and height of the cells in grid output renderings. More...

float	getCellWidth ()
	Returns the active grid cell width. More...

float	getCellHeight ()
	Returns the active grid cell height. More...

None	resize (int num_rows, int num_cols)
	Chnages the current number of grid rows and columns. More...

int	getNumRows ()
	Returns the current number of grid rows. More...

int	getNumColumns ()
	Returns the current number of grid columns. More...

None	clearStructures ()
	Clears all specified structures. More...

None	clearAllText ()
	Clears all specified text blocks. More...

StructureGridView2D	assign (StructureGridView2D grid_view)
	Performs a copy assignment of the specified `StructureGridView2D` instance. More...

Cell	__call__ (int row, int col)
	Returns the Cell instance storing the contents of the specified grid cell. More...

Cell	__getitem__ (tuple row_and_col)

Public Member Functions inherited from CDPL.Vis.View2D
None	render (Renderer2D renderer)
	Renders the visual representation of the model using the specified Vis.Renderer2D instance. More...

None	setFontMetrics (FontMetrics font_metrics)
	Specifies a font metrics object that will be used to measure the dimension of text labels. More...

None	getModelBounds (Rectangle2D bounds)
	Calculates the bounding rectangle of the visualized model. More...

Public Member Functions inherited from CDPL.Base.ControlParameterContainer
None	setParameter (LookupKey key, Any value)

bool	removeParameter (LookupKey key)
	Removes the entry for the control-parameter specified by key. More...

Any	getParameter (LookupKey key, bool throw_=False, bool local=False)
	Returns the value of the control-parameter specified by key. More...

Any	getParameterOrDefault (LookupKey key, Any def_value, bool local=False)

bool	isParameterSet (LookupKey key, bool local=False)
	Tells whether or not a value has been assigned to the control-parameter specified by key. More...

None	clearParameters ()
	Erases all container entries. More...

None	addParameters (ControlParameterContainer cntnr)
	Adds the control-parameter value entries in the `ControlParameterContainer` instance cntnr. More...

None	copyParameters (ControlParameterContainer cntnr)
	Replaces the current set of properties by a copy of the entries in cntnr. More...

int	getNumParameters ()
	Returns the number of container entries. More...

int	registerParameterChangedCallback (VoidLookupKeyAnyFunctor func)
	Registers a callback target function that gets invoked when the value of a control-parameter has changed. More...

None	unregisterParameterChangedCallback (int id)
	Unregisters the callback specified by id. More...

int	registerParameterRemovedCallback (VoidLookupKeyFunctor func)
	Registers a callback target function that gets invoked when a control-parameter entry has been removed. More...

None	unregisterParameterRemovedCallback (int id)
	Unregisters the callback specified by id. More...

int	registerParentChangedCallback (VoidFunctor func)
	Registers a callback target function that gets invoked when the parent container has been changed or was detached. More...

None	unregisterParentChangedCallback (int id)
	Unregisters the callback specified by id. More...

ControlParameterContainer	getParent ()
	Returns a reference to the parent control-parameter container. More...

None	setParent (ControlParameterContainer cntnr)
	Sets or removes the parent control-parameter container used to resolve requests for missing entries. More...

list	getParameterKeys ()

list	getParameterValues ()

list	getParameters ()
	Returns a reference to itself. More...

int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...

Any	__getitem__ (LookupKey key)

None	__setitem__ (LookupKey key, Any value)

bool	__delitem__ (LookupKey self)

bool	__contains__ (LookupKey self, bool key)
	Returns the result of the membership test operation `self in arg1`. More...

int	__len__ ()

Static Public Attributes
float	DEF_CELL_WIDTH = 250.0
	The default grid cell width.

float	DEF_CELL_HEIGHT = 250.0
	The default grid cell height.

Properties
	cellWidth = property(getCellWidth)

	cellHeight = property(getCellHeight)

	numRows = property(getNumRows)

	numColumns = property(getNumColumns)

	fontMetrics = property(getFontMetrics, setFontMetrics)

Properties inherited from CDPL.Base.ControlParameterContainer
	objectID = property(getObjectID)

	parent = property(getParent, setParent)

	parameterKeys = property(getParameterKeys)

	parameterValues = property(getParameterValues)

	parameters = property(getParameters)

	numParameters = property(getNumParameters)

Detailed Description

Implements the 2D visualization of multiple chemical structures arranged in a grid.

StructureGridView2D visualizes one or more molecules as 2D structure diagrams arranged in a grid of arbitrary size.

StructureGridView2D relies on Vis.StructureView2D for 2D structure visualization and thus supports all all of its parameters controlling the graphical details of the generated structure diagrams (colors, fonts, line-widths etc.). Structure visualization parameters of a StructureGridView2D instance can be set for individual grid cells as well as for the whole grid. Furthermore, any Chem.Atom, Chem.Bond and Chem.MolecularGraph relevant for 2D visualization properties will also be regarded (see Vis.StructureView2D for the list of supported properties). Properties of the visualized structures have a higher priority than the corresponding control-parameters of the grid cells hosting the structures. Likewise, control-parameters set for individual grid cells override the corresponding settings of the StructureGridView2D instance.

Each grid cell can host up to nine text blocks which are located at the corners, edges and the cell center. Text blocks are stored as Vis.TextBlockPrimitive2D instances which allow the text to span multiple lines and support the styling (colors, italic, bold, sub/super-scripting, etc.) of individual text fragments.

StructureGridView2D supports the following control-parameters in addition to the ones regarded by Vis.StructureView2D:

Control-Parameter	Description
Vis.ControlParameter.OUTPUT_SCALING_FACTOR	Specifies a factor for the scaling of logical to drawing surface coordinates
Vis.ControlParameter.GRID_VIEW_BORDER_PEN	Specifies the pen used for drawing a rectangle enclosing all cells of the grid
Vis.ControlParameter.GRID_VIEW_ROW_SEPARATOR_PEN	Specifies the pen used for drawing lines separating the grid rows
Vis.ControlParameter.GRID_VIEW_COLUMN_SEPARATOR_PEN	Specifies the pen used for drawing lines separating the grid columns
Vis.ControlParameter.GRID_VIEW_MARGIN	Specifies the amount of free space added around the grid borderline
Vis.ControlParameter.GRID_VIEW_CELL_PADDING	Specifies the amount of free space added around the content of the grid cells
Vis.ControlParameter.GRID_VIEW_TEXT_FONT	Specifies the font used for text blocks
Vis.ControlParameter.GRID_VIEW_TEXT_COLOR	Specifies the default text color

Default values for most of the control-parameters are defined in namespace Vis.ControlParameterDefault.

Since: 1.2

Constructor & Destructor Documentation

◆ init()

None CDPL.Vis.StructureGridView2D.__init__ ( StructureGridView2D grid_view )

Constructs a copy of the StructureGridView2D instance grid_view.

Parameters

grid_view The StructureGridView2D instance to copy;

Member Function Documentation

◆ write() [1/5]

bool CDPL.Vis.StructureGridView2D.write ( str file_name )

Parameters

file_name

Returns

◆ write() [2/5]

bool CDPL.Vis.StructureGridView2D.write	(	str	file_name,
		str	fmt
	)

Parameters

file_name
fmt

Returns

◆ write() [3/5]

bool CDPL.Vis.StructureGridView2D.write	(	str	file_name,
		Base.DataFormat	fmt
	)

Parameters

file_name
fmt

Returns

◆ write() [4/5]

bool CDPL.Vis.StructureGridView2D.write	(	Base.OStream	os,
		str	fmt
	)

Parameters

os
fmt

Returns

◆ write() [5/5]

bool CDPL.Vis.StructureGridView2D.write	(	Base.OStream	os,
		Base.DataFormat	fmt
	)

Parameters

os
fmt

Returns

◆ getFontMetrics()

FontMetrics CDPL.Vis.StructureGridView2D.getFontMetrics ( )

Returns a reference to the used font metrics object.

Returns: A reference to the used font metrics object, or None if none was specified.

◆ setCellSize()

None CDPL.Vis.StructureGridView2D.setCellSize	(	float	width,
		float	height
	)

Allows to specify the desired width and height of the cells in grid output renderings.

The default width and height is given by the constants DEF_CELL_WIDTH and DEF_CELL_HEIGHT, respectively.

Parameters

width	The new cell width.
height	The new cell height.

Exceptions

Base.ValueError if either width or height is negative.

◆ getCellWidth()

float CDPL.Vis.StructureGridView2D.getCellWidth ( )

Returns the active grid cell width.

Returns: The active grid cell width.

◆ getCellHeight()

float CDPL.Vis.StructureGridView2D.getCellHeight ( )

Returns the active grid cell height.

Returns: The active grid cell height.

◆ resize()

None CDPL.Vis.StructureGridView2D.resize	(	int	num_rows,
		int	num_cols
	)

Chnages the current number of grid rows and columns.

The grid gets resized dynamically if a cell outside the currently sized grid is requested by call. Calling this method is thus only necessary if a specific grid size is desired. Any already existing cells that are located outside the new grid dimensions will be deleted.

Parameters

num_rows	The new numer of grid rows.
num_cols	The new numer of grid columns.

◆ getNumRows()

int CDPL.Vis.StructureGridView2D.getNumRows ( )

Returns the current number of grid rows.

Returns: The current number of grid rows.

◆ getNumColumns()

int CDPL.Vis.StructureGridView2D.getNumColumns ( )

Returns the current number of grid columns.

Returns: The current number of grid columns.

◆ clearStructures()

None CDPL.Vis.StructureGridView2D.clearStructures ( )

Clears all specified structures.

See also: Cell.clearStructure()

◆ clearAllText()

None CDPL.Vis.StructureGridView2D.clearAllText ( )

Clears all specified text blocks.

See also: Cell.clearAllText()

◆ assign()

StructureGridView2D CDPL.Vis.StructureGridView2D.assign ( StructureGridView2D grid_view )

Performs a copy assignment of the specified StructureGridView2D instance.

Parameters

grid_view The StructureGridView2D instance to copy.

Returns: A reference to itslef.

◆ call()

Cell CDPL.Vis.StructureGridView2D.__call__	(	int	row,
		int	col
	)

Returns the Cell instance storing the contents of the specified grid cell.

If row and col specify a cell outside of the current grid bounds the grid will not be automatically resized to accommodate the new cell. For such cells a reference to an "empty" Cell instance is returned. The same is done for not yet touched cells (within the current grid bounds).

Parameters

row	The zero-based row index of the cell.
col	The zero-based columns index of the cell.

Returns: A reference to the Cell instance.

◆ getitem()

Cell CDPL.Vis.StructureGridView2D.__getitem__ ( tuple row_and_col )

Parameters

row_and_col

Returns

Classes

Public Member Functions

Static Public Attributes

Properties

Detailed Description

Constructor & Destructor Documentation

◆ __init__()

Member Function Documentation

◆ write() [1/5]

◆ write() [2/5]

◆ write() [3/5]

◆ write() [4/5]

◆ write() [5/5]

◆ getFontMetrics()

◆ setCellSize()

◆ getCellWidth()

◆ getCellHeight()

◆ resize()

◆ getNumRows()

◆ getNumColumns()

◆ clearStructures()

◆ clearAllText()

◆ assign()

◆ __call__()

◆ __getitem__()

◆ init()

◆ call()

◆ getitem()