BALL::MOLFile::AtomStruct Class Reference

#include <BALL/FORMAT/MOLFile.h>

List of all members.

Public Attributes
Vector3	position
String	symbol
Index	mass_difference
Index	charge
Index	parity
Size	hydrogen_count
bool	stereo_care_box
Size	valence
bool	H0_designator
Position	reaction_component_type
Position	reaction_component_number
Position	number
Position	inversion_retention
bool	exact_change

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Member Data Documentation

Index BALL::MOLFile::AtomStruct::charge

bool BALL::MOLFile::AtomStruct::exact_change

bool BALL::MOLFile::AtomStruct::H0_designator

Size BALL::MOLFile::AtomStruct::hydrogen_count

Position BALL::MOLFile::AtomStruct::inversion_retention

Index BALL::MOLFile::AtomStruct::mass_difference

Position BALL::MOLFile::AtomStruct::number

Index BALL::MOLFile::AtomStruct::parity

Vector3 BALL::MOLFile::AtomStruct::position

Position BALL::MOLFile::AtomStruct::reaction_component_number

Position BALL::MOLFile::AtomStruct::reaction_component_type

bool BALL::MOLFile::AtomStruct::stereo_care_box

String BALL::MOLFile::AtomStruct::symbol

Size BALL::MOLFile::AtomStruct::valence