BALL 1.5.0
Public Attributes | List of all members
BALL::MOL2File::MoleculeStruct Struct Reference

#include <BALL/FORMAT/MOL2File.h>

Public Attributes

String name
 
Size number_of_atoms
 
Size number_of_bonds
 
Size number_of_substructures
 
Size number_of_features
 
Size number_of_sets
 
String type
 
String charge_type
 
String comment
 

Detailed Description

Definition at line 156 of file MOL2File.h.

Member Data Documentation

◆ charge_type

String BALL::MOL2File::MoleculeStruct::charge_type

Definition at line 165 of file MOL2File.h.

◆ comment

String BALL::MOL2File::MoleculeStruct::comment

Definition at line 166 of file MOL2File.h.

◆ name

String BALL::MOL2File::MoleculeStruct::name

Definition at line 158 of file MOL2File.h.

◆ number_of_atoms

Size BALL::MOL2File::MoleculeStruct::number_of_atoms

Definition at line 159 of file MOL2File.h.

◆ number_of_bonds

Size BALL::MOL2File::MoleculeStruct::number_of_bonds

Definition at line 160 of file MOL2File.h.

◆ number_of_features

Size BALL::MOL2File::MoleculeStruct::number_of_features

Definition at line 162 of file MOL2File.h.

◆ number_of_sets

Size BALL::MOL2File::MoleculeStruct::number_of_sets

Definition at line 163 of file MOL2File.h.

◆ number_of_substructures

Size BALL::MOL2File::MoleculeStruct::number_of_substructures

Definition at line 161 of file MOL2File.h.

◆ type

String BALL::MOL2File::MoleculeStruct::type

Definition at line 164 of file MOL2File.h.