BALL  1.4.79
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Modules | Classes
File Formats

Modules

 Molecular structure file formats
 
 Molecular Dynamics Trajectory File Formats
 
 General Purpose File Formats
 
 NMR File Formats
 

Classes

class  BALL::AmiraMeshFile
 
class  BALL::CCP4File
 
class  BALL::DSN6File
 
class  BALL::HMOFile
 
class  BALL::HMOFile::HMOCharge
 

Nested classes and enums

enum  BALL::HMOFile::ElementType {
  BALL::HMOFile::L2 = 60, BALL::HMOFile::L3 = 63, BALL::HMOFile::T3 = 103, BALL::HMOFile::T6 = 106,
  BALL::HMOFile::Q4 = 104, BALL::HMOFile::Q8 = 108, BALL::HMOFile::TH4 = 204, BALL::HMOFile::TH10 = 210,
  BALL::HMOFile::P6 = 206, BALL::HMOFile::P15 = 215, BALL::HMOFile::H8 = 208, BALL::HMOFile::H20 = 220
}
 

Detailed Description

BALL supports a number of different file formats and offers a set of classes do read and write those formats. Some of these classes provide interfaces for the format classes, e.g. GenericMolFile , which implements a generic interface for molecular file formats. Others implement specific formats. In addition, classes like LineBasedFile provide simple interface to allow the user the rapid implementation of user-defined file formats or for parsing specialized formats. All file format classes are derived from File and provide the features implemented there, e.g. on-the-fly transformation and URL retrieval.

Enumeration Type Documentation

Enumerator
L2 
L3 
T3 
T6 
Q4 
Q8 
TH4 
TH10 
P6 
P15 
H8 
H20 

Definition at line 51 of file HMOFile.h.