#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 |