Chemical Data Processing Library C++ API - Version 1.4.0
Variables
CDPL::Grid::ControlParameter Namespace Reference

Provides keys for built-in control-parameters. More...

Variables

CDPL_GRID_API const Base::LookupKey STRICT_ERROR_CHECKING
 Specifies whether non-fatal recoverable I/O errors should be ignored or cause an I/O operation to fail. More...
 
CDPL_GRID_API const Base::LookupKey CDF_OUTPUT_SINGLE_PRECISION_FLOATS
 Specifies whether floating-point values shall be output in single-precision (true) or double-precision (false) when writing data in CDF format. More...
 
CDPL_GRID_API const Base::LookupKey CUBE_COMMENT_IS_NAME
 Specifies whether to interpret the comment line of a Gaussian CUBE file as the grid name on data I/O. More...
 
CDPL_GRID_API const Base::LookupKey CUBE_INPUT_DISTANCE_SCALING_FACTOR
 Specifies the scaling factor to apply to distances read from data in Gaussian CUBE format. More...
 
CDPL_GRID_API const Base::LookupKey CUBE_OUTPUT_DISTANCE_SCALING_FACTOR
 Specifies the scaling factor to apply to distances when generating Gaussian CUBE output. More...
 

Detailed Description

Provides keys for built-in control-parameters.

Variable Documentation

◆ STRICT_ERROR_CHECKING

CDPL_GRID_API const Base::LookupKey CDPL::Grid::ControlParameter::STRICT_ERROR_CHECKING
extern

Specifies whether non-fatal recoverable I/O errors should be ignored or cause an I/O operation to fail.

If the parameter is set to true, not only severe errors cause an I/O operation to fail, but also non-fatal errors from which a recovery would be possible. If the parameter is set to false, I/O operations will proceed even if a non-fatal error has been detected.

Value Type: bool

◆ CDF_OUTPUT_SINGLE_PRECISION_FLOATS

CDPL_GRID_API const Base::LookupKey CDPL::Grid::ControlParameter::CDF_OUTPUT_SINGLE_PRECISION_FLOATS
extern

Specifies whether floating-point values shall be output in single-precision (true) or double-precision (false) when writing data in CDF format.

Value Type: bool

Since
1.2

◆ CUBE_COMMENT_IS_NAME

CDPL_GRID_API const Base::LookupKey CDPL::Grid::ControlParameter::CUBE_COMMENT_IS_NAME
extern

Specifies whether to interpret the comment line of a Gaussian CUBE file as the grid name on data I/O.

Value Type: bool

See also
[CUBE]
Since
1.4

◆ CUBE_INPUT_DISTANCE_SCALING_FACTOR

CDPL_GRID_API const Base::LookupKey CDPL::Grid::ControlParameter::CUBE_INPUT_DISTANCE_SCALING_FACTOR
extern

Specifies the scaling factor to apply to distances read from data in Gaussian CUBE format.

Value Type: double

See also
[CUBE]
Since
1.4

◆ CUBE_OUTPUT_DISTANCE_SCALING_FACTOR

CDPL_GRID_API const Base::LookupKey CDPL::Grid::ControlParameter::CUBE_OUTPUT_DISTANCE_SCALING_FACTOR
extern

Specifies the scaling factor to apply to distances when generating Gaussian CUBE output.

Value Type: double

See also
[CUBE]
Since
1.4