Chemical Data Processing Library Python API - Version 1.4.0
Classes | Functions
CDPL.Grid Package Reference

Contains classes and functions related to grid based data representation and processing. More...

Classes

class  AttributedGrid
 Abstract base class for grid types that also carry generic key/value properties. More...
 
class  AttributedGridProperty
 Provides keys for built-in Grid.AttributedGrid properties. More...
 
class  AttributedGridPropertyDefault
 Provides default values for built-in Grid.AttributedGrid properties. More...
 
class  CDFBZ2DRegularGridInputHandler
 Handler for the input of bzip2-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFBZ2DRegularGridOutputHandler
 Handler for the output of bzip2-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFBZ2DRegularGridReader
 Reader for bzip2-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFBZ2DRegularGridSetInputHandler
 Handler for the input of bzip2-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFBZ2DRegularGridSetOutputHandler
 Handler for the output of bzip2-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFBZ2DRegularGridSetReader
 Reader for bzip2-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFBZ2DRegularGridSetWriter
 Writer for bzip2-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFBZ2DRegularGridWriter
 Writer for bzip2-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridInputHandler
 Handler for the input of regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridOutputHandler
 Handler for the output of regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridReader
 Reader for regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridSetInputHandler
 Handler for the input of regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridSetOutputHandler
 Handler for the output of regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridSetReader
 Reader for regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridSetWriter
 Writer for regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridWriter
 Writer for regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridInputHandler
 Handler for the input of gzip-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridOutputHandler
 Handler for the output of gzip-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridReader
 Reader for gzip-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridSetInputHandler
 Handler for the input of gzip-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridSetOutputHandler
 Handler for the output of gzip-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridSetReader
 Reader for gzip-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridSetWriter
 Writer for gzip-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridWriter
 Writer for gzip-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CUBEDRegularGridInputHandler
 Handler for the input of regular spatial grid data in the Gaussian CUBE [CUBE] format. More...
 
class  CUBEDRegularGridOutputHandler
 Handler for the output of regular spatial grid data in the Gaussian CUBE [CUBE] format. More...
 
class  CUBEDRegularGridReader
 Reader for regular spatial grid data in the Gaussian CUBE [CUBE] format. More...
 
class  CUBEDRegularGridWriter
 Writer for regular spatial grid data in the Gaussian CUBE [CUBE] format. More...
 
class  CompoundDRegularGridReader
 Composite Base.DataReader that aggregates several underlying readers and presents their records as one contiguous record stream. More...
 
class  CompoundDRegularGridSetReader
 Composite Base.DataReader that aggregates several underlying readers and presents their records as one contiguous record stream. More...
 
class  ControlParameter
 Provides keys for built-in control-parameters. More...
 
class  ControlParameterDefault
 Provides default values for built-in control-parameters. More...
 
class  DRegularGrid
 A regular spatial grid storing double-precision floating-point values. More...
 
class  DRegularGridIOManager
 Singleton class that serves as a global registry for Grid.DRegularGridInputHandler and Grid.DRegularGridOutputHandler implementation instances. More...
 
class  DRegularGridInputHandler
 Factory interface providing methods for the creation of Grid.DRegularGridReaderBase instances for reading data provided in a particular storage format. More...
 
class  DRegularGridOutputHandler
 Factory interface providing methods for the creation of Grid.DRegularGridWriterBase instances for data output in a particular storage format. More...
 
class  DRegularGridReader
 Reader for grid data of type Grid.DRegularGrid in any supported format. More...
 
class  DRegularGridReaderBase
 Interface for reading data objects of type Grid.DRegularGrid from an arbitrary data source. More...
 
class  DRegularGridSet
 Convenience alias for the double-precision regular spatial grid sets. More...
 
class  DRegularGridSetIOManager
 Singleton class that serves as a global registry for Grid.DRegularGridSetInputHandler and Grid.DRegularGridSetOutputHandler implementation instances. More...
 
class  DRegularGridSetInputHandler
 Factory interface providing methods for the creation of Grid.DRegularGridSetReaderBase instances for reading data provided in a particular storage format. More...
 
class  DRegularGridSetOutputHandler
 Factory interface providing methods for the creation of Grid.DRegularGridSetWriterBase instances for data output in a particular storage format. More...
 
class  DRegularGridSetReader
 Reader for grid set data of type Grid.DRegularGridSet in any supported format. More...
 
class  DRegularGridSetReaderBase
 Interface for reading data objects of type Grid.DRegularGridSet from an arbitrary data source. More...
 
class  DRegularGridSetWriter
 Writer for grid set data of type Grid.DRegularGridSet in any supported format. More...
 
class  DRegularGridSetWriterBase
 Interface for writing data objects of type Grid.DRegularGridSet to an arbitrary data sink. More...
 
class  DRegularGridWriter
 Writer for grid data of type Grid.DRegularGrid in any supported format. More...
 
class  DRegularGridWriterBase
 Interface for writing data objects of type Grid.DRegularGrid to an arbitrary data sink. More...
 
class  DSpatialGrid
 Convenience alias for the double-precision spatial-grid abstract base. More...
 
class  DataFormat
 Provides preinitialized Base.DataFormat objects for all supported data formats. More...
 
class  FRegularGrid
 A regular spatial grid storing single-precision floating-point values. More...
 
class  FRegularGridSet
 Convenience alias for the single-precision regular spatial grid sets. More...
 
class  FSpatialGrid
 Convenience alias for the single-precision spatial-grid abstract base. More...
 
class  FileCDFBZ2DRegularGridReader
 
class  FileCDFBZ2DRegularGridSetReader
 
class  FileCDFBZ2DRegularGridSetWriter
 
class  FileCDFBZ2DRegularGridWriter
 
class  FileCDFDRegularGridReader
 
class  FileCDFDRegularGridSetReader
 
class  FileCDFDRegularGridSetWriter
 
class  FileCDFDRegularGridWriter
 
class  FileCDFGZDRegularGridReader
 
class  FileCDFGZDRegularGridSetReader
 
class  FileCDFGZDRegularGridSetWriter
 
class  FileCDFGZDRegularGridWriter
 
class  FileCUBEDRegularGridReader
 
class  FileCUBEDRegularGridWriter
 

Functions

None setComment (AttributedGrid grid, str comment)
 Sets the value of the Grid.AttributedGridProperty.COMMENT property of the attributed grid grid to comment. More...
 
bool hasComment (AttributedGrid grid)
 Tells whether the Grid.AttributedGridProperty.COMMENT property of the attributed grid grid is set. More...
 
str getComment (AttributedGrid grid)
 Returns the value of the Grid.AttributedGridProperty.COMMENT property of the attributed grid grid. More...
 
None clearComment (AttributedGrid grid)
 Clears the value of the Grid.AttributedGridProperty.COMMENT property of the attributed grid grid. More...
 
None setName (AttributedGrid grid, str name)
 Sets the value of the Grid.AttributedGridProperty.NAME property of the attributed grid grid to name. More...
 
bool hasName (AttributedGrid grid)
 Tells whether the Grid.AttributedGridProperty.NAME property of the attributed grid grid is set. More...
 
str getName (AttributedGrid grid)
 Returns the value of the Grid.AttributedGridProperty.NAME property of the attributed grid grid. More...
 
None clearName (AttributedGrid grid)
 Clears the value of the Grid.AttributedGridProperty.NAME property of the attributed grid grid. More...
 
None setCDFOutputSinglePrecisionFloatsParameter (Base.ControlParameterContainer cntnr, bool single_prec)
 Sets the value of the Grid.ControlParameter.CDF_OUTPUT_SINGLE_PRECISION_FLOATS parameter of cntnr to single_prec. More...
 
bool hasCDFOutputSinglePrecisionFloatsParameter (Base.ControlParameterContainer cntnr)
 Tells whether the Grid.ControlParameter.CDF_OUTPUT_SINGLE_PRECISION_FLOATS parameter of cntnr is set. More...
 
bool getCDFOutputSinglePrecisionFloatsParameter (Base.ControlParameterContainer cntnr)
 Returns the value of the Grid.ControlParameter.CDF_OUTPUT_SINGLE_PRECISION_FLOATS parameter stored in cntnr. More...
 
None clearCDFOutputSinglePrecisionFloatsParameter (Base.ControlParameterContainer cntnr)
 Removes the Grid.ControlParameter.CDF_OUTPUT_SINGLE_PRECISION_FLOATS parameter from cntnr. More...
 
None setCUBECommentIsNameParameter (Base.ControlParameterContainer cntnr, bool is_name)
 Sets the value of the Grid.ControlParameter.CUBE_COMMENT_IS_NAME parameter of cntnr to is_name. More...
 
bool hasCUBECommentIsNameParameter (Base.ControlParameterContainer cntnr)
 Tells whether the Grid.ControlParameter.CUBE_COMMENT_IS_NAME parameter of cntnr is set. More...
 
bool getCUBECommentIsNameParameter (Base.ControlParameterContainer cntnr)
 Returns the value of the Grid.ControlParameter.CUBE_COMMENT_IS_NAME parameter stored in cntnr. More...
 
None clearCUBECommentIsNameParameter (Base.ControlParameterContainer cntnr)
 Removes the Grid.ControlParameter.CUBE_COMMENT_IS_NAME parameter from cntnr. More...
 
None setCUBEInputDistanceScalingFactorParameter (Base.ControlParameterContainer cntnr, float factor)
 Sets the value of the Grid.ControlParameter.CUBE_INPUT_DISTANCE_SCALING_FACTOR parameter of cntnr to factor. More...
 
bool hasCUBEInputDistanceScalingFactorParameter (Base.ControlParameterContainer cntnr)
 Tells whether the Grid.ControlParameter.CUBE_INPUT_DISTANCE_SCALING_FACTOR parameter of cntnr is set. More...
 
float getCUBEInputDistanceScalingFactorParameter (Base.ControlParameterContainer cntnr)
 Returns the value of the Grid.ControlParameter.CUBE_INPUT_DISTANCE_SCALING_FACTOR parameter stored in cntnr. More...
 
None clearCUBEInputDistanceScalingFactorParameter (Base.ControlParameterContainer cntnr)
 Removes the Grid.ControlParameter.CUBE_INPUT_DISTANCE_SCALING_FACTOR parameter from cntnr. More...
 
None setCUBEOutputDistanceScalingFactorParameter (Base.ControlParameterContainer cntnr, float factor)
 Sets the value of the Grid.ControlParameter.CUBE_OUTPUT_DISTANCE_SCALING_FACTOR parameter of cntnr to factor. More...
 
bool hasCUBEOutputDistanceScalingFactorParameter (Base.ControlParameterContainer cntnr)
 Tells whether the Grid.ControlParameter.CUBE_OUTPUT_DISTANCE_SCALING_FACTOR parameter of cntnr is set. More...
 
float getCUBEOutputDistanceScalingFactorParameter (Base.ControlParameterContainer cntnr)
 Returns the value of the Grid.ControlParameter.CUBE_OUTPUT_DISTANCE_SCALING_FACTOR parameter stored in cntnr. More...
 
None clearCUBEOutputDistanceScalingFactorParameter (Base.ControlParameterContainer cntnr)
 Removes the Grid.ControlParameter.CUBE_OUTPUT_DISTANCE_SCALING_FACTOR parameter from cntnr. More...
 
None setStrictErrorCheckingParameter (Base.ControlParameterContainer cntnr, bool strict)
 Sets the value of the Grid.ControlParameter.STRICT_ERROR_CHECKING parameter of cntnr to strict. More...
 
bool hasStrictErrorCheckingParameter (Base.ControlParameterContainer cntnr)
 Tells whether the Grid.ControlParameter.STRICT_ERROR_CHECKING parameter of cntnr is set. More...
 
bool getStrictErrorCheckingParameter (Base.ControlParameterContainer cntnr)
 Returns the value of the Grid.ControlParameter.STRICT_ERROR_CHECKING parameter stored in cntnr. More...
 
None clearStrictErrorCheckingParameter (Base.ControlParameterContainer cntnr)
 Removes the Grid.ControlParameter.STRICT_ERROR_CHECKING parameter from cntnr. More...
 

Detailed Description

Contains classes and functions related to grid based data representation and processing.

Function Documentation

◆ setComment()

None CDPL.Grid.setComment ( AttributedGrid  grid,
str  comment 
)

Sets the value of the Grid.AttributedGridProperty.COMMENT property of the attributed grid grid to comment.

Parameters
gridThe attributed grid for which to set the property value.
commentThe new comment.
Since
1.4

◆ hasComment()

bool CDPL.Grid.hasComment ( AttributedGrid  grid)

Tells whether the Grid.AttributedGridProperty.COMMENT property of the attributed grid grid is set.

Parameters
gridThe attributed grid for which to query the property value.
Returns
True if the comment property is set, and False otherwise.
Since
1.4

◆ getComment()

str CDPL.Grid.getComment ( AttributedGrid  grid)

Returns the value of the Grid.AttributedGridProperty.COMMENT property of the attributed grid grid.

Parameters
gridThe attributed grid for which to return the property value.
Returns
A reference to the comment.
Since
1.4

◆ clearComment()

None CDPL.Grid.clearComment ( AttributedGrid  grid)

Clears the value of the Grid.AttributedGridProperty.COMMENT property of the attributed grid grid.

Parameters
gridThe attributed grid for which to clear the property value.
Since
1.4

◆ setName()

None CDPL.Grid.setName ( AttributedGrid  grid,
str  name 
)

Sets the value of the Grid.AttributedGridProperty.NAME property of the attributed grid grid to name.

Parameters
gridThe attributed grid for which to set the property value.
nameThe new name.

◆ hasName()

bool CDPL.Grid.hasName ( AttributedGrid  grid)

Tells whether the Grid.AttributedGridProperty.NAME property of the attributed grid grid is set.

Parameters
gridThe attributed grid for which to query the property value.
Returns
True if the name property is set, and False otherwise.

◆ getName()

str CDPL.Grid.getName ( AttributedGrid  grid)

Returns the value of the Grid.AttributedGridProperty.NAME property of the attributed grid grid.

Parameters
gridThe attributed grid for which to return the property value.
Returns
A reference to the name.

◆ clearName()

None CDPL.Grid.clearName ( AttributedGrid  grid)

Clears the value of the Grid.AttributedGridProperty.NAME property of the attributed grid grid.

Parameters
gridThe attributed grid for which to clear the property value.

◆ setCDFOutputSinglePrecisionFloatsParameter()

None CDPL.Grid.setCDFOutputSinglePrecisionFloatsParameter ( Base.ControlParameterContainer  cntnr,
bool  single_prec 
)

Sets the value of the Grid.ControlParameter.CDF_OUTPUT_SINGLE_PRECISION_FLOATS parameter of cntnr to single_prec.

Parameters
cntnrThe control-parameter container.
single_precTrue to write single-precision floats, and False to write double-precision floats.
Since
1.2

◆ hasCDFOutputSinglePrecisionFloatsParameter()

bool CDPL.Grid.hasCDFOutputSinglePrecisionFloatsParameter ( Base.ControlParameterContainer  cntnr)

Tells whether the Grid.ControlParameter.CDF_OUTPUT_SINGLE_PRECISION_FLOATS parameter of cntnr is set.

Parameters
cntnrThe control-parameter container.
Returns
True if the parameter is set, and False otherwise.
Since
1.2

◆ getCDFOutputSinglePrecisionFloatsParameter()

bool CDPL.Grid.getCDFOutputSinglePrecisionFloatsParameter ( Base.ControlParameterContainer  cntnr)

Returns the value of the Grid.ControlParameter.CDF_OUTPUT_SINGLE_PRECISION_FLOATS parameter stored in cntnr.

Parameters
cntnrThe control-parameter container.
Returns
True if CDF output uses single-precision floats, and False otherwise.
Since
1.2

◆ clearCDFOutputSinglePrecisionFloatsParameter()

None CDPL.Grid.clearCDFOutputSinglePrecisionFloatsParameter ( Base.ControlParameterContainer  cntnr)

Removes the Grid.ControlParameter.CDF_OUTPUT_SINGLE_PRECISION_FLOATS parameter from cntnr.

Parameters
cntnrThe control-parameter container.
Since
1.2

◆ setCUBECommentIsNameParameter()

None CDPL.Grid.setCUBECommentIsNameParameter ( Base.ControlParameterContainer  cntnr,
bool  is_name 
)

Sets the value of the Grid.ControlParameter.CUBE_COMMENT_IS_NAME parameter of cntnr to is_name.

Parameters
cntnrThe control-parameter container.
is_nameTrue to interpret the CUBE comment line as the grid name, and False to treat it as a regular comment.
Since
1.4

◆ hasCUBECommentIsNameParameter()

bool CDPL.Grid.hasCUBECommentIsNameParameter ( Base.ControlParameterContainer  cntnr)

Tells whether the Grid.ControlParameter.CUBE_COMMENT_IS_NAME parameter of cntnr is set.

Parameters
cntnrThe control-parameter container.
Returns
True if the parameter is set, and False otherwise.
Since
1.4

◆ getCUBECommentIsNameParameter()

bool CDPL.Grid.getCUBECommentIsNameParameter ( Base.ControlParameterContainer  cntnr)

Returns the value of the Grid.ControlParameter.CUBE_COMMENT_IS_NAME parameter stored in cntnr.

Parameters
cntnrThe control-parameter container.
Returns
True if the CUBE comment line is interpreted as the grid name, and False otherwise.
Since
1.4

◆ clearCUBECommentIsNameParameter()

None CDPL.Grid.clearCUBECommentIsNameParameter ( Base.ControlParameterContainer  cntnr)

Removes the Grid.ControlParameter.CUBE_COMMENT_IS_NAME parameter from cntnr.

Parameters
cntnrThe control-parameter container.
Since
1.4

◆ setCUBEInputDistanceScalingFactorParameter()

None CDPL.Grid.setCUBEInputDistanceScalingFactorParameter ( Base.ControlParameterContainer  cntnr,
float  factor 
)

Sets the value of the Grid.ControlParameter.CUBE_INPUT_DISTANCE_SCALING_FACTOR parameter of cntnr to factor.

Parameters
cntnrThe control-parameter container.
factorThe new distance scaling factor applied to CUBE input.
Since
1.4

◆ hasCUBEInputDistanceScalingFactorParameter()

bool CDPL.Grid.hasCUBEInputDistanceScalingFactorParameter ( Base.ControlParameterContainer  cntnr)

Tells whether the Grid.ControlParameter.CUBE_INPUT_DISTANCE_SCALING_FACTOR parameter of cntnr is set.

Parameters
cntnrThe control-parameter container.
Returns
True if the parameter is set, and False otherwise.
Since
1.4

◆ getCUBEInputDistanceScalingFactorParameter()

float CDPL.Grid.getCUBEInputDistanceScalingFactorParameter ( Base.ControlParameterContainer  cntnr)

Returns the value of the Grid.ControlParameter.CUBE_INPUT_DISTANCE_SCALING_FACTOR parameter stored in cntnr.

Parameters
cntnrThe control-parameter container.
Returns
The CUBE input distance scaling factor.
Since
1.4

◆ clearCUBEInputDistanceScalingFactorParameter()

None CDPL.Grid.clearCUBEInputDistanceScalingFactorParameter ( Base.ControlParameterContainer  cntnr)

Removes the Grid.ControlParameter.CUBE_INPUT_DISTANCE_SCALING_FACTOR parameter from cntnr.

Parameters
cntnrThe control-parameter container.
Since
1.4

◆ setCUBEOutputDistanceScalingFactorParameter()

None CDPL.Grid.setCUBEOutputDistanceScalingFactorParameter ( Base.ControlParameterContainer  cntnr,
float  factor 
)

Sets the value of the Grid.ControlParameter.CUBE_OUTPUT_DISTANCE_SCALING_FACTOR parameter of cntnr to factor.

Parameters
cntnrThe control-parameter container.
factorThe new distance scaling factor applied to CUBE output.
Since
1.4

◆ hasCUBEOutputDistanceScalingFactorParameter()

bool CDPL.Grid.hasCUBEOutputDistanceScalingFactorParameter ( Base.ControlParameterContainer  cntnr)

Tells whether the Grid.ControlParameter.CUBE_OUTPUT_DISTANCE_SCALING_FACTOR parameter of cntnr is set.

Parameters
cntnrThe control-parameter container.
Returns
True if the parameter is set, and False otherwise.
Since
1.4

◆ getCUBEOutputDistanceScalingFactorParameter()

float CDPL.Grid.getCUBEOutputDistanceScalingFactorParameter ( Base.ControlParameterContainer  cntnr)

Returns the value of the Grid.ControlParameter.CUBE_OUTPUT_DISTANCE_SCALING_FACTOR parameter stored in cntnr.

Parameters
cntnrThe control-parameter container.
Returns
The CUBE output distance scaling factor.
Since
1.4

◆ clearCUBEOutputDistanceScalingFactorParameter()

None CDPL.Grid.clearCUBEOutputDistanceScalingFactorParameter ( Base.ControlParameterContainer  cntnr)

Removes the Grid.ControlParameter.CUBE_OUTPUT_DISTANCE_SCALING_FACTOR parameter from cntnr.

Parameters
cntnrThe control-parameter container.
Since
1.4

◆ setStrictErrorCheckingParameter()

None CDPL.Grid.setStrictErrorCheckingParameter ( Base.ControlParameterContainer  cntnr,
bool  strict 
)

Sets the value of the Grid.ControlParameter.STRICT_ERROR_CHECKING parameter of cntnr to strict.

Parameters
cntnrThe control-parameter container.
strictTrue to enable strict error checking, and False to disable it.

◆ hasStrictErrorCheckingParameter()

bool CDPL.Grid.hasStrictErrorCheckingParameter ( Base.ControlParameterContainer  cntnr)

Tells whether the Grid.ControlParameter.STRICT_ERROR_CHECKING parameter of cntnr is set.

Parameters
cntnrThe control-parameter container.
Returns
True if the parameter is set, and False otherwise.

◆ getStrictErrorCheckingParameter()

bool CDPL.Grid.getStrictErrorCheckingParameter ( Base.ControlParameterContainer  cntnr)

Returns the value of the Grid.ControlParameter.STRICT_ERROR_CHECKING parameter stored in cntnr.

Parameters
cntnrThe control-parameter container.
Returns
True if strict error checking is enabled, and False otherwise.

◆ clearStrictErrorCheckingParameter()

None CDPL.Grid.clearStrictErrorCheckingParameter ( Base.ControlParameterContainer  cntnr)

Removes the Grid.ControlParameter.STRICT_ERROR_CHECKING parameter from cntnr.

Parameters
cntnrThe control-parameter container.