ReadAmberParm.h File Reference

#include <string>
#include <vector>
#include <fstream>
#include <unordered_map>
#include <tuple>
#include <type_traits>
#include <functional>

Go to the source code of this file.

Classes
struct	AmberParm7Reader::FortranFormatSpecifier
struct	AmberParm7Reader::FortranData
struct	AmberParm7Reader::Ambertoppar

Namespaces
	AmberParm7Reader

Macros
#define	_REAL   float

Typedefs
typedef unordered_map< string, tuple< bool, vector< FortranData > > >	AmberParm7Reader::AmberTopparMap

Functions
void	AmberParm7Reader::parse_fortran_format (const std::string &str, FortranFormatSpecifier &specifier)
	Parse a single fortran format specifier. More...
void	AmberParm7Reader::parse_fortran_format (const std::string &str, vector< FortranFormatSpecifier > &specifiers)
	Parse multiple fortran format specifiers separated by commas. More...
void	AmberParm7Reader::split_string_by_specifiers (const string &source, const vector< FortranFormatSpecifier > &specifiers, vector< FortranData > &destination)
	This function splits a string by a set of fortran format specifiers. More...
bool	AmberParm7Reader::read_amber_parm_stage1 (const char *filename, AmberTopparMap &toppar_map)
	Read an AMBER topology file into an AmberTopparMap. More...
bool	AmberParm7Reader::read_amber_parm_stage2 (AmberTopparMap &toppar_map, Ambertoppar &toppar_data)
	Read an AmberTopparMap into an Ambertoppar struct for NAMD. More...
bool	AmberParm7Reader::parse_pointer (const vector< FortranData > &source, Ambertoppar &result)
bool	AmberParm7Reader::parse_section (const vector< FortranData > &source, const int &count, vector< string > &destination, const string &section_name)
	Copy data from source to destination. More...
bool	AmberParm7Reader::parse_section (const vector< FortranData > &source, const int &count, vector< int > &destination, const string &section_name)
bool	AmberParm7Reader::parse_section (const vector< FortranData > &source, const int &count, vector< _REAL > &destination, const string &section_name)
bool	AmberParm7Reader::parse_section (const vector< FortranData > &source, const int &count, std::initializer_list< std::reference_wrapper< vector< string >>> destination, const string &section_name)
	Copy data from source to multiple destination arrays. More...
bool	AmberParm7Reader::parse_section (const vector< FortranData > &source, const int &count, std::initializer_list< std::reference_wrapper< vector< int >>> destination, const string &section_name)
bool	AmberParm7Reader::parse_section (const vector< FortranData > &source, const int &count, std::initializer_list< std::reference_wrapper< vector< _REAL >>> destination, const string &section_name)
Ambertoppar	AmberParm7Reader::readparm (const char *filename)

Macro Definition Documentation

_REAL

#define _REAL   float

Definition at line 43 of file ReadAmberParm.h.