#include <BALL/FORMAT/MOLFile.h>
Definition at line 90 of file MOLFile.h.
§ charge
Index BALL::MOLFile::AtomStruct::charge |
§ exact_change
bool BALL::MOLFile::AtomStruct::exact_change |
§ H0_designator
bool BALL::MOLFile::AtomStruct::H0_designator |
§ hydrogen_count
Size BALL::MOLFile::AtomStruct::hydrogen_count |
§ inversion_retention
Position BALL::MOLFile::AtomStruct::inversion_retention |
§ mass_difference
Index BALL::MOLFile::AtomStruct::mass_difference |
§ number
Position BALL::MOLFile::AtomStruct::number |
§ parity
Index BALL::MOLFile::AtomStruct::parity |
§ position
Vector3 BALL::MOLFile::AtomStruct::position |
§ reaction_component_number
Position BALL::MOLFile::AtomStruct::reaction_component_number |
§ reaction_component_type
Position BALL::MOLFile::AtomStruct::reaction_component_type |
§ stereo_care_box
bool BALL::MOLFile::AtomStruct::stereo_care_box |
§ symbol
String BALL::MOLFile::AtomStruct::symbol |
§ valence
Size BALL::MOLFile::AtomStruct::valence |