cif_io.cpp File Reference

#include <iostream>
#include <fstream>
#include <cmath>
#include <algorithm>
#include "source_base/formatter.h"
#include "source_io/cif_io.h"
#include <regex>
#include <cassert>
#include "source_base/tool_quit.h"
#include "source_base/parallel_common.h"

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Functions
double	deg2rad (double deg)
double	rad2deg (double rad)
void	_build_chem_formula (const int natom, const std::string *atom_site_labels, std::string &sum, std::string &structural)
void	vec_to_abc_angles (const double *vec, double *abc_angles)
void	abc_angles_to_vec (const double *abc_angles, double *vec)
double	vec_to_volume (const double *vec)
double	abc_angles_to_volume (const double *abc_angles)
std::vector< std::string >	_split_outside_enclose (const std::string &in, const std::string &delim, const std::vector< std::string > &enclose)
std::vector< std::string >	_split_loop_block (const std::string &block)
std::map< std::string, std::vector< std::string > >	_build_table (const std::vector< std::string > &keys, const std::vector< std::string > &values)
std::map< std::string, std::vector< std::string > >	_build_block_data (const std::vector< std::string > &block)
void	bcast_cifmap (std::map< std::string, std::vector< std::string > > &map, const int rank=0)

Function Documentation

_build_block_data()

std::map< std::string, std::vector< std::string > > _build_block_data

(

const std::vector< std::string > &

block

)

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_build_chem_formula()

void _build_chem_formula	(	const int	natom,
		const std::string *	atom_site_labels,
		std::string &	sum,
		std::string &	structural
	)

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_build_table()

std::map< std::string, std::vector< std::string > > _build_table	(	const std::vector< std::string > &	keys,
		const std::vector< std::string > &	values
	)

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_split_loop_block()

std::vector< std::string > _split_loop_block

(

const std::string &

block

)

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_split_outside_enclose()

std::vector< std::string > _split_outside_enclose	(	const std::string &	in,
		const std::string &	delim,
		const std::vector< std::string > &	enclose
	)

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abc_angles_to_vec()

void abc_angles_to_vec	(	const double *	abc_angles,
		double *	vec
	)

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abc_angles_to_volume()

double abc_angles_to_volume

(

const double *

abc_angles

)

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bcast_cifmap()

void bcast_cifmap	(	std::map< std::string, std::vector< std::string > > &	map,
		const int	rank = 0
	)

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deg2rad()

double deg2rad

(

double

deg

)

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rad2deg()

double rad2deg

(

double

rad

)

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vec_to_abc_angles()

void vec_to_abc_angles	(	const double *	vec,
		double *	abc_angles
	)

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vec_to_volume()

double vec_to_volume

(

const double *

vec

)

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