BALL::MOLFile::Property Struct Reference

#include <BALL/FORMAT/MOLFile.h>

Static Public Attributes
static const String	ATOM_MASS_DIFFERENCE
static const String	ATOM_HYDROGEN_COUNT
static const String	ATOM_STEREO_CARE_BOX
static const String	ATOM_VALENCE
static const String	ATOM_H0_DESIGNATOR
static const String	ATOM_REACTION_COMPONENT_TYPE
static const String	ATOM_REACTION_COMPONENT_NUMBER
static const String	ATOM_INVERSION_RETENTION
static const String	ATOM_EXACT_CHANGE
static const String	BOND_STEREO
static const String	BOND_TOPOLOGY
static const String	BOND_REACTING_CENTER_STATUS

Detailed Description

String constants used for named properties. Some of the data read from MOL files cannot be stored immediately in the kernel datastructures, so they are stored as NamedProperty objects in Atom and Bond . These string constants are used to access the corresponding fields of the atom and bond block of the MOL file.

See also

PropertyManager::setProperty

PropertyManager::getProperty

Definition at line 44 of file MOLFile.h.

Member Data Documentation

const String BALL::MOLFile::Property::ATOM_EXACT_CHANGE

static

Definition at line 63 of file MOLFile.h.

const String BALL::MOLFile::Property::ATOM_H0_DESIGNATOR

static

Definition at line 55 of file MOLFile.h.

const String BALL::MOLFile::Property::ATOM_HYDROGEN_COUNT

static

Definition at line 49 of file MOLFile.h.

const String BALL::MOLFile::Property::ATOM_INVERSION_RETENTION

static

Definition at line 61 of file MOLFile.h.

const String BALL::MOLFile::Property::ATOM_MASS_DIFFERENCE

static

Definition at line 47 of file MOLFile.h.

const String BALL::MOLFile::Property::ATOM_REACTION_COMPONENT_NUMBER

static

Definition at line 59 of file MOLFile.h.

const String BALL::MOLFile::Property::ATOM_REACTION_COMPONENT_TYPE

static

Definition at line 57 of file MOLFile.h.

const String BALL::MOLFile::Property::ATOM_STEREO_CARE_BOX

static

Definition at line 51 of file MOLFile.h.

const String BALL::MOLFile::Property::ATOM_VALENCE

static

Definition at line 53 of file MOLFile.h.

const String BALL::MOLFile::Property::BOND_REACTING_CENTER_STATUS

static

Definition at line 70 of file MOLFile.h.

const String BALL::MOLFile::Property::BOND_STEREO

static

Definition at line 66 of file MOLFile.h.

const String BALL::MOLFile::Property::BOND_TOPOLOGY

static

Definition at line 68 of file MOLFile.h.