aurostd_xparser.h File Reference

#include <filesystem>
#include <fstream>
#include <iostream>
#include <map>
#include <memory>
#include <string>
#include <utility>
#include <vector>
#include "aurostd.h"
#include "aurostd_xmatrix.h"
#include "aurostd_xvector.h"

Go to the source code of this file.

Classes
class	aurostd::x3DWriter
	tools to create 3D scence and export them in different More...
struct	aurostd::x3DWriter::storage_object
	Helper to store different scene objects (utalizing shared pointers) More...
struct	aurostd::x3DWriter::Sphere
	Scene object settings for spheres. More...
struct	aurostd::x3DWriter::ConvexFacets
	Scene object settings for facets. More...
struct	aurostd::x3DWriter::OpenCylinder
	Scene object settings for cylinders. More...
struct	aurostd::x3DWriter::Material
	Storage object for material settings. More...

Namespaces
namespace	aurostd

Enumerations
enum	elements_string_type { composition_string , pp_string }

Functions
void	aurostd::VASP_PseudoPotential_CleanName_InPlace (std::string &species, bool capital_letters_only=false, bool remove_floats=true)
void	aurostd::elementsFromCompositionString (const std::string &input)
template<class utype>
void	aurostd::elementsFromCompositionString (const std::string &input, std::vector< std::string > &velements, std::vector< utype > &vcomposition)
void	aurostd::elementsFromPPString (const std::string &input, std::vector< std::string > &velements, bool keep_pp=false)
std::vector< std::string >	aurostd::getElements (const std::string &input)
std::vector< std::string >	aurostd::getElements (const std::string &input, elements_string_type e_str_type, bool clean=true, bool sort_elements=false, bool keep_pp=false, std::ostream &oss=std::cout)
template<class utype>
std::vector< std::string >	aurostd::getElements (const std::string &input, std::vector< utype > &vcomposition, bool clean=true, bool sort_elements=false, bool keep_pp=false, std::ostream &oss=std::cout)
std::vector< std::string >	aurostd::getElements (const std::string &input, elements_string_type e_str_type, std::ofstream &FileMESSAGE, bool clean=true, bool sort_elements=false, bool keep_pp=false, std::ostream &oss=std::cout)
template<class utype>
std::vector< std::string >	aurostd::getElements (const std::string &input, std::vector< utype > &vcomposition, elements_string_type e_str_type, bool clean=true, bool sort_elements=false, bool keep_pp=false, std::ostream &oss=std::cout)
template<class utype>
std::vector< std::string >	aurostd::getElements (const std::string &input, std::vector< utype > &vcomposition, elements_string_type e_str_type, std::ofstream &FileMESSAGE, bool clean=true, bool sort_elements=false, bool keep_pp=false, std::ostream &oss=std::cout)
std::vector< std::string >	aurostd::extractJsonKeysAflow (const std::string &json)
std::string	aurostd::extractJsonValueAflow (const std::string &json, std::string key)
std::vector< std::string >	aurostd::extractJsonVectorAflow (const std::string &json, std::string key)
std::vector< std::vector< std::string > >	aurostd::extractJsonMatrixAflow (const std::string &json, std::string key)

Variables
const std::string	CAPITAL_LETTERS_PP_LIST

Enumeration Type Documentation

elements_string_type

enum elements_string_type

Enumerator
composition_string
pp_string

Definition at line 26 of file aurostd_xparser.h.

Variable Documentation

CAPITAL_LETTERS_PP_LIST

const std::string CAPITAL_LETTERS_PP_LIST

Initial value:

=
    "_GW2"    
    ",_GW"    
    ",_ZORA"  
    ",_LDApU" 
    ",_AE"    
    ",_NC2"   
    ",_200eV"
    ""

Definition at line 32 of file aurostd_xparser.h.