BALL  1.5.0
Public Attributes | List of all members
BALL::GAFFTypeProcessor::TypeDefinition Struct Reference

Nested class definitions. More...

#include <BALL/MOLMEC/AMBER/GAFFTypeProcessor.h>

Public Attributes

String atom_type
 
int atomic_number
 
int connectivity
 
String attached_hydrogens
 
String electron_withdrawal_atoms
 
String atomic_property
 
String chemical_environment
 

Detailed Description

Nested class definitions.

Definition at line 41 of file GAFFTypeProcessor.h.

Member Data Documentation

◆ atom_type

String BALL::GAFFTypeProcessor::TypeDefinition::atom_type

Definition at line 43 of file GAFFTypeProcessor.h.

◆ atomic_number

int BALL::GAFFTypeProcessor::TypeDefinition::atomic_number

Definition at line 44 of file GAFFTypeProcessor.h.

◆ atomic_property

String BALL::GAFFTypeProcessor::TypeDefinition::atomic_property

Definition at line 48 of file GAFFTypeProcessor.h.

◆ attached_hydrogens

String BALL::GAFFTypeProcessor::TypeDefinition::attached_hydrogens

Definition at line 46 of file GAFFTypeProcessor.h.

◆ chemical_environment

String BALL::GAFFTypeProcessor::TypeDefinition::chemical_environment

Definition at line 49 of file GAFFTypeProcessor.h.

◆ connectivity

int BALL::GAFFTypeProcessor::TypeDefinition::connectivity

Definition at line 45 of file GAFFTypeProcessor.h.

◆ electron_withdrawal_atoms

String BALL::GAFFTypeProcessor::TypeDefinition::electron_withdrawal_atoms

Definition at line 47 of file GAFFTypeProcessor.h.