rwatomprop.cpp File Reference

Library routines to read and write atom properties. More...

#include "rwatomprop.h"
#include "star.h"
#include "mol_tags.h"
#include "linked_list.h"
#include "utilities.h"

Classes
struct	atom_type

Functions
Batomtype *	read_atom_prop_star (Bstring &filename)
int	write_atom_prop_star (Bstring &filename, Batomtype *at_first)
Batomtype *	get_atom_properties (Bstring &filename)
	Reading atomic properties from parameter files. More...
int	write_atom_properties (Bstring &filename, Batomtype *at)
	Writing atomic properties from parameter files. More...
Batomtype *	atom_type_add (Batomtype **atype, const char *aname)
	Adds an atom type structure to a linked list. More...
int	atom_type_kill (Batomtype *atype)
	Destroys an atom type. More...
map< string, int >	atom_type_tags ()

Variables
int	verbose

Detailed Description

Library routines to read and write atom properties.

Author

Bernard Heymann

Date

Created: 19991114

Modified: 20210214

Function Documentation

atom_type_add()

Batomtype * atom_type_add	(	Batomtype **	atype,
		const char *	aname
	)

Adds an atom type structure to a linked list.

Parameters

**atype	pointer to any atom type in the list.
*aname	atom type name.

Returns

Batomtype* new atom type.

The function allocates memory for a new atom type structure.
If the content of the pointer is null, the new structure is
the first in the list. Otherwise, the end of the list is found
and the new structure added to it.

atom_type_kill()

int atom_type_kill

(

Batomtype *

atype

)

Destroys an atom type.

Parameters

atype

the atom type.

Returns

int 0.

atom_type_tags()

map< string, int > atom_type_tags

(

)

get_atom_properties()

Batomtype * get_atom_properties

(

Bstring &

filename

)

Reading atomic properties from parameter files.

Parameters

&filename

file name (if empty, use a default file).

Returns

Batomtype* atom property structure, NULL on failure.

read_atom_prop_star()

Batomtype * read_atom_prop_star

(

Bstring &

filename

)

write_atom_prop_star()

int write_atom_prop_star	(	Bstring &	filename,
		Batomtype *	at_first
	)

write_atom_properties()

int write_atom_properties	(	Bstring &	filename,
		Batomtype *	at
	)

Writing atomic properties from parameter files.

Parameters

&filename	file name.
*at	the atom property structure.

Returns

int error code (<0 means failure).

Variable Documentation

verbose

int verbose

extern