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
 A handler for the input of bzip2-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFBZ2DRegularGridOutputHandler
 A handler for the output of bzip2-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFBZ2DRegularGridReader
 
class  CDFBZ2DRegularGridSetInputHandler
 A handler for the input of bzip2-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFBZ2DRegularGridSetOutputHandler
 A handler for the output of bzip2-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFBZ2DRegularGridSetReader
 
class  CDFBZ2DRegularGridSetWriter
 
class  CDFBZ2DRegularGridWriter
 
class  CDFDRegularGridInputHandler
 A handler for the input of regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridOutputHandler
 A handler for the output of regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridReader
 A reader for regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridSetInputHandler
 A handler for the input of regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridSetOutputHandler
 A handler for the output of regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridSetReader
 A reader for regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridSetWriter
 A writer for regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFDRegularGridWriter
 A writer for regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridInputHandler
 A handler for the input of gzip-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridOutputHandler
 A handler for the output of gzip-compressed regular spatial grid data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridReader
 
class  CDFGZDRegularGridSetInputHandler
 A handler for the input of gzip-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridSetOutputHandler
 A handler for the output of gzip-compressed regular spatial grid set data in the native I/O format of the CDPL. More...
 
class  CDFGZDRegularGridSetReader
 
class  CDFGZDRegularGridSetWriter
 
class  CDFGZDRegularGridWriter
 
class  CUBEDRegularGridInputHandler
 A handler for the input of regular spatial grid data in the Gaussian CUBEL [CUBE] format. More...
 
class  CUBEDRegularGridOutputHandler
 A handler for the output of regular spatial grid data in the Gaussian CUBE [CUBE] format. More...
 
class  CUBEDRegularGridReader
 A reader for regular spatial grid data in the Gaussian CUBE [CUBE] format. More...
 
class  CUBEDRegularGridWriter
 A writer for regular spatial grid data in the Gaussian CUBE [CUBE] format. More...
 
class  CompoundDRegularGridReader
 CompoundDataReader. More...
 
class  CompoundDRegularGridSetReader
 CompoundDataReader. 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 3D spatial grid storing double-precision floating-point values. More...
 
class  DRegularGridIOManager
 A singleton class that serves as a global registry for Grid.DRegularGridInputHandler and Grid.DRegularGridOutputHandler implementation instances. More...
 
class  DRegularGridInputHandler
 A factory interface providing methods for the creation of Grid.DRegularGridReaderBase instances for reading data provided in a particular storage format. More...
 
class  DRegularGridOutputHandler
 A 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
 An interface for reading data objects of type Grid.DRegularGrid from an arbitrary data source. More...
 
class  DRegularGridSet
 RegularGridSet. More...
 
class  DRegularGridSetIOManager
 A singleton class that serves as a global registry for Grid.DRegularGridSetInputHandler and Grid.DRegularGridSetOutputHandler implementation instances. More...
 
class  DRegularGridSetInputHandler
 A factory interface providing methods for the creation of Grid.DRegularGridSetReaderBase instances for reading data provided in a particular storage format. More...
 
class  DRegularGridSetOutputHandler
 A 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
 An 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
 An 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
 An interface for writing data objects of type Grid.DRegularGrid to an arbitrary data sink. More...
 
class  DSpatialGrid
 SpatialGrid. More...
 
class  DataFormat
 Provides preinitialized Base.DataFormat objects for all supported data formats. More...
 
class  FRegularGrid
 A regular 3D spatial grid storing single-precision floating-point values. More...
 
class  FRegularGridSet
 RegularGridSet. More...
 
class  FSpatialGrid
 SpatialGrid. 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)
 
bool hasComment (AttributedGrid grid)
 
str getComment (AttributedGrid grid)
 
None clearComment (AttributedGrid grid)
 
None setName (AttributedGrid grid, str name)
 
bool hasName (AttributedGrid grid)
 
str getName (AttributedGrid grid)
 
None clearName (AttributedGrid grid)
 
None setCDFOutputSinglePrecisionFloatsParameter (Base.ControlParameterContainer cntnr, bool single_prec)
 
bool hasCDFOutputSinglePrecisionFloatsParameter (Base.ControlParameterContainer cntnr)
 
bool getCDFOutputSinglePrecisionFloatsParameter (Base.ControlParameterContainer cntnr)
 
None clearCDFOutputSinglePrecisionFloatsParameter (Base.ControlParameterContainer cntnr)
 
None setCUBECommentIsNameParameter (Base.ControlParameterContainer cntnr, bool is_name)
 
bool hasCUBECommentIsNameParameter (Base.ControlParameterContainer cntnr)
 
bool getCUBECommentIsNameParameter (Base.ControlParameterContainer cntnr)
 
None clearCUBECommentIsNameParameter (Base.ControlParameterContainer cntnr)
 
None setStrictErrorCheckingParameter (Base.ControlParameterContainer cntnr, bool strict)
 
bool hasStrictErrorCheckingParameter (Base.ControlParameterContainer cntnr)
 
bool getStrictErrorCheckingParameter (Base.ControlParameterContainer cntnr)
 
None clearStrictErrorCheckingParameter (Base.ControlParameterContainer cntnr)
 

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 
)
Parameters
grid
comment

◆ hasComment()

bool CDPL.Grid.hasComment ( AttributedGrid  grid)
Parameters
grid
Returns

◆ getComment()

str CDPL.Grid.getComment ( AttributedGrid  grid)
Parameters
grid
Returns

◆ clearComment()

None CDPL.Grid.clearComment ( AttributedGrid  grid)
Parameters
grid

◆ setName()

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

◆ hasName()

bool CDPL.Grid.hasName ( AttributedGrid  grid)
Parameters
grid
Returns

◆ getName()

str CDPL.Grid.getName ( AttributedGrid  grid)
Parameters
grid
Returns

◆ clearName()

None CDPL.Grid.clearName ( AttributedGrid  grid)
Parameters
grid

◆ setCDFOutputSinglePrecisionFloatsParameter()

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

◆ hasCDFOutputSinglePrecisionFloatsParameter()

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

◆ getCDFOutputSinglePrecisionFloatsParameter()

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

◆ clearCDFOutputSinglePrecisionFloatsParameter()

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

◆ setCUBECommentIsNameParameter()

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

◆ hasCUBECommentIsNameParameter()

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

◆ getCUBECommentIsNameParameter()

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

◆ clearCUBECommentIsNameParameter()

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

◆ setStrictErrorCheckingParameter()

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

◆ hasStrictErrorCheckingParameter()

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

◆ getStrictErrorCheckingParameter()

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

◆ clearStrictErrorCheckingParameter()

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