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

String BALL::MOL2File::MoleculeStruct::charge_type

Definition at line 165 of file MOL2File.h.

String BALL::MOL2File::MoleculeStruct::comment

Definition at line 166 of file MOL2File.h.

String BALL::MOL2File::MoleculeStruct::name

Definition at line 158 of file MOL2File.h.

Size BALL::MOL2File::MoleculeStruct::number_of_atoms

Definition at line 159 of file MOL2File.h.

Size BALL::MOL2File::MoleculeStruct::number_of_bonds

Definition at line 160 of file MOL2File.h.

Size BALL::MOL2File::MoleculeStruct::number_of_features

Definition at line 162 of file MOL2File.h.

Size BALL::MOL2File::MoleculeStruct::number_of_sets

Definition at line 163 of file MOL2File.h.

Size BALL::MOL2File::MoleculeStruct::number_of_substructures

Definition at line 161 of file MOL2File.h.

String BALL::MOL2File::MoleculeStruct::type

Definition at line 164 of file MOL2File.h.