Chemical Data Processing Library C++ API - Version 1.1.1
Variables
CDPL::Chem::DataFormat Namespace Reference

Provides preinitialized Base::DataFormat objects for all supported chemical data formats. More...

Variables

CDPL_CHEM_API const Base::DataFormat JME
 Provides meta-information about the native I/O format of the JME Molecular Editor [JME] java applet. More...
 
CDPL_CHEM_API const Base::DataFormat MOL
 Provides meta-information about the MDL Mol-File [CTFILE] format. More...
 
CDPL_CHEM_API const Base::DataFormat SDF
 Provides meta-information about the MDL SD-File [CTFILE] format. More...
 
CDPL_CHEM_API const Base::DataFormat SDF_GZ
 Provides meta-information about the gzip-compressed MDL SD-File [CTFILE] format. More...
 
CDPL_CHEM_API const Base::DataFormat SDF_BZ2
 Provides meta-information about the bzip2-compressed MDL SD-File [CTFILE] format. More...
 
CDPL_CHEM_API const Base::DataFormat RXN
 Provides meta-information about the MDL Rxn-File [CTFILE] format. More...
 
CDPL_CHEM_API const Base::DataFormat RDF
 Provides meta-information about the MDL RD-File [CTFILE] format. More...
 
CDPL_CHEM_API const Base::DataFormat RDF_GZ
 Provides meta-information about the gzip-compressed MDL RD-File [CTFILE] format. More...
 
CDPL_CHEM_API const Base::DataFormat RDF_BZ2
 Provides meta-information about the bzip2-compressed MDL RD-File [CTFILE] format. More...
 
CDPL_CHEM_API const Base::DataFormat SMILES
 Provides meta-information about the Daylight SMILES [SMILES] format. More...
 
CDPL_CHEM_API const Base::DataFormat SMILES_GZ
 Provides meta-information about the gzip-compressed Daylight SMILES [SMILES] format. More...
 
CDPL_CHEM_API const Base::DataFormat SMILES_BZ2
 Provides meta-information about the bzip2-compressed Daylight SMILES [SMILES] format. More...
 
CDPL_CHEM_API const Base::DataFormat SMARTS
 Provides meta-information about the Daylight SMARTS [SMARTS] format. More...
 
CDPL_CHEM_API const Base::DataFormat INCHI
 Provides meta-information about the IUPAC International Chemical Identifier (InChI) [INCHI] format. More...
 
CDPL_CHEM_API const Base::DataFormat CDF
 Provides meta-information about the native CDPL format. More...
 
CDPL_CHEM_API const Base::DataFormat CDF_GZ
 Provides meta-information about the gzip-compressed native CDPL format. More...
 
CDPL_CHEM_API const Base::DataFormat CDF_BZ2
 Provides meta-information about the bzip2-compressed native CDPL format. More...
 
CDPL_CHEM_API const Base::DataFormat MOL2
 Provides meta-information about the Sybyl MOL2 format. More...
 
CDPL_CHEM_API const Base::DataFormat MOL2_GZ
 Provides meta-information about the gzip-compressed Sybyl MOL2 format. More...
 
CDPL_CHEM_API const Base::DataFormat MOL2_BZ2
 Provides meta-information about the bzip2-compressed Sybyl MOL2 format. More...
 
CDPL_CHEM_API const Base::DataFormat XYZ
 Provides meta-information about the XYZ format. More...
 
CDPL_CHEM_API const Base::DataFormat XYZ_GZ
 Provides meta-information about the gzip-compressed XYZ format. More...
 
CDPL_CHEM_API const Base::DataFormat XYZ_BZ2
 Provides meta-information about the bzip2-compressed XYZ format. More...
 

Detailed Description

Provides preinitialized Base::DataFormat objects for all supported chemical data formats.

Variable Documentation

◆ JME

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::JME
extern

Provides meta-information about the native I/O format of the JME Molecular Editor [JME] java applet.

◆ MOL

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::MOL
extern

Provides meta-information about the MDL Mol-File [CTFILE] format.

◆ SDF

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::SDF
extern

Provides meta-information about the MDL SD-File [CTFILE] format.

◆ SDF_GZ

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::SDF_GZ
extern

Provides meta-information about the gzip-compressed MDL SD-File [CTFILE] format.

◆ SDF_BZ2

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::SDF_BZ2
extern

Provides meta-information about the bzip2-compressed MDL SD-File [CTFILE] format.

◆ RXN

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::RXN
extern

Provides meta-information about the MDL Rxn-File [CTFILE] format.

◆ RDF

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::RDF
extern

Provides meta-information about the MDL RD-File [CTFILE] format.

◆ RDF_GZ

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::RDF_GZ
extern

Provides meta-information about the gzip-compressed MDL RD-File [CTFILE] format.

◆ RDF_BZ2

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::RDF_BZ2
extern

Provides meta-information about the bzip2-compressed MDL RD-File [CTFILE] format.

◆ SMILES

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::SMILES
extern

Provides meta-information about the Daylight SMILES [SMILES] format.

◆ SMILES_GZ

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::SMILES_GZ
extern

Provides meta-information about the gzip-compressed Daylight SMILES [SMILES] format.

◆ SMILES_BZ2

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::SMILES_BZ2
extern

Provides meta-information about the bzip2-compressed Daylight SMILES [SMILES] format.

◆ SMARTS

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::SMARTS
extern

Provides meta-information about the Daylight SMARTS [SMARTS] format.

◆ INCHI

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::INCHI
extern

Provides meta-information about the IUPAC International Chemical Identifier (InChI) [INCHI] format.

◆ CDF

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::CDF
extern

Provides meta-information about the native CDPL format.

◆ CDF_GZ

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::CDF_GZ
extern

Provides meta-information about the gzip-compressed native CDPL format.

◆ CDF_BZ2

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::CDF_BZ2
extern

Provides meta-information about the bzip2-compressed native CDPL format.

◆ MOL2

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::MOL2
extern

Provides meta-information about the Sybyl MOL2 format.

◆ MOL2_GZ

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::MOL2_GZ
extern

Provides meta-information about the gzip-compressed Sybyl MOL2 format.

◆ MOL2_BZ2

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::MOL2_BZ2
extern

Provides meta-information about the bzip2-compressed Sybyl MOL2 format.

◆ XYZ

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::XYZ
extern

Provides meta-information about the XYZ format.

◆ XYZ_GZ

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::XYZ_GZ
extern

Provides meta-information about the gzip-compressed XYZ format.

◆ XYZ_BZ2

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::XYZ_BZ2
extern

Provides meta-information about the bzip2-compressed XYZ format.