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...
CDPL_CHEM_API const Base::DataFormat	CML
	Provides meta-information about the Chemical Markup Language [CML] format. More...
CDPL_CHEM_API const Base::DataFormat	CML_GZ
	Provides meta-information about the gzip-compressed Chemical Markup Language [CML] format. More...
CDPL_CHEM_API const Base::DataFormat	CML_BZ2
	Provides meta-information about the bzip2-compressed Chemical Markup Language [CML] 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.

CML

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::CML

extern

Provides meta-information about the Chemical Markup Language [CML] format.

Since

1.2

CML_GZ

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::CML_GZ

extern

Provides meta-information about the gzip-compressed Chemical Markup Language [CML] format.

Since

1.2

CML_BZ2

CDPL_CHEM_API const Base::DataFormat CDPL::Chem::DataFormat::CML_BZ2

extern

Provides meta-information about the bzip2-compressed Chemical Markup Language [CML] format.

Since

1.2