MTK++ Latest version: 0.2.0

Public Member Functions | Protected Member Functions | Protected Attributes
MTKpp::paramParser Class Reference

Reads parameter xml files. More...

#include <mtkpp/src/Parsers/paramParser.h>

Inheritance diagram for MTKpp::paramParser:
Inheritance graph
[legend]
Collaboration diagram for MTKpp::paramParser:
Collaboration graph
[legend]

List of all members.

Public Member Functions

 paramParser (parameters *c)
 paramParser Constructor
virtual ~paramParser ()
 paramParser Destructor
int Read (std::string fileName)
 Reads parameter xml files.
int Write (std::string i, std::string g)
 Write standard library xml file.
virtual void Read ()
 Read function.
virtual void Write ()
 Write function.
std::ofstream & OpenFile (std::string fileName)
 Write function.
std::string determineElement (std::string &name)
 Preceive element symbol from the atom name.
void setError (int i)
 Error handling within Parsers.
bool getError ()
 Error handling within dcParser.
void setErrorMessage (std::string s)
 Error handling within Parsers.
std::string getErrorMessage ()
 Error handling within Parsers.

Protected Member Functions

void updateEquivalentAtoms ()
 Update equivalent atoms.

Protected Attributes

std::string groupName
 group name
parameterspParameters
 parameters pointer
atomTypepAtomType
 atomType pointer
bondParampBondParam
 bondParam pointer
angleParampAngleParam
 angleParam pointer
torsionParampTorsionParam
 torsionParam pointer
improperParampImproperParam
 improperParam pointer
hBondParampHBondParam
 hBondParam pointer
equivalentAtomsParampEquivalentAtomsParam
 equivalentAtomsParam pointer
std::ofstream outputFileStream
 Output File Stream.
bool bError
 Error occured.
std::string errorMessage
 Error message.
unsigned int NUM_INDENTS_PER_SPACE

Detailed Description

Reads parameter xml files.

Author:
Martin Peters

Constructor & Destructor Documentation

MTKpp::paramParser::paramParser ( parameters c)
MTKpp::paramParser::~paramParser ( ) [virtual]

paramParser Destructor


Member Function Documentation

int MTKpp::paramParser::Read ( std::string  fileName)

Reads parameter xml files.

Parameters:
fileNameparameter xml file
Returns:
boolean

Referenced by main().

int MTKpp::paramParser::Write ( std::string  i,
std::string  g 
)

Write standard library xml file.

Parameters:
iparameter xml file
ggroup name

Referenced by main().

void MTKpp::paramParser::updateEquivalentAtoms ( ) [protected]
void MTKpp::baseParser::Read ( ) [virtual, inherited]

Read function.

Referenced by MTKpp::acParser::Read(), and MTKpp::molParser::Read().

void MTKpp::baseParser::Write ( ) [virtual, inherited]
std::ofstream & MTKpp::baseParser::OpenFile ( std::string  fileName) [inherited]

Write function.

References MTKpp::baseParser::outputFileStream.

Referenced by main().

std::string MTKpp::baseParser::determineElement ( std::string &  name) [inherited]

Preceive element symbol from the atom name.

References MTKpp::GetAlphaChar(), and MTKpp::removeCharacter().

Referenced by MTKpp::pdbParser::Read(), and MTKpp::prepParser::readFragment().

void MTKpp::baseParser::setError ( int  i) [inline, inherited]
bool MTKpp::baseParser::getError ( ) [inline, inherited]

Error handling within dcParser.

Returns:
error

References MTKpp::baseParser::bError.

Referenced by main().

void MTKpp::baseParser::setErrorMessage ( std::string  s) [inline, inherited]
std::string MTKpp::baseParser::getErrorMessage ( ) [inline, inherited]

Error handling within Parsers.

Returns:
error message

References MTKpp::baseParser::errorMessage.

Referenced by main().


Member Data Documentation

std::string MTKpp::paramParser::groupName [protected]

group name

parameters pointer

Referenced by paramParser(), and updateEquivalentAtoms().

atomType pointer

bondParam pointer

angleParam pointer

torsionParam pointer

improperParam pointer

hBondParam pointer

std::ofstream MTKpp::baseParser::outputFileStream [protected, inherited]

Output File Stream.

Referenced by MTKpp::baseParser::OpenFile().

bool MTKpp::baseParser::bError [protected, inherited]
std::string MTKpp::baseParser::errorMessage [protected, inherited]
unsigned int MTKpp::baseParser::NUM_INDENTS_PER_SPACE [protected, inherited]

The documentation for this class was generated from the following files:

Generated on Fri Dec 23 2011 09:28:57 for MTK++ by Doxygen 1.7.5.1