read_isaacs.h File Reference

Function declarations to read / write ISAACS XML file. More...

#include <libxml/encoding.h>
#include <libxml/xmlwriter.h>
#include <libxml/xmlreader.h>
#include <libxml/parser.h>

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Functions
size_t	strfind (int *ida)
int	XmlwriterFilename (const char *uri)
	write ISAACS XML file
int	write_xml (const char *filetosave)
	write XML file
gboolean	file_exists (const char *filename)
	file exists ?
xmlNodePtr	findnode (xmlNodePtr startnode, char *nname)
	find XML node
int	setprop (xmlNodePtr pnode)
	read chemical properties from XML node
int	testopening (char *tdata, char *tfichier)
	test atomic coordinates file opening
int	setchemistry (xmlNodePtr xsnode)
	read chemistry data from node
int	setbox (xmlNodePtr boxnode)
	read box properties from node
int	setpbc (xmlNodePtr pbcnode)
	read the PBC information from node
int	setcutoffs (xmlNodePtr cutnode)
	read bond cutoffs from node
int	settime (xmlNodePtr timenode)
	read MD information from node
int	check_xml (const char *filetocheck)
	check the opening of ISAACS XML file
gchar *	open_xml (const char *filetoread)
	Open ISAACS XML file.

Detailed Description

Function declarations to read / write ISAACS XML file.

Author

Sébastien Le Roux sebas.nosp@m.tien.nosp@m..lero.nosp@m.ux@i.nosp@m.pcms..nosp@m.unis.nosp@m.tra.f.nosp@m.r

Definition in file read_isaacs.h.

Function Documentation

check_xml()

int check_xml

(

const char *

filetocheck

)

check the opening of ISAACS XML file

Parameters

filetocheck

File name

Definition at line 1246 of file read_isaacs.c.

file_exists()

gboolean file_exists

(

const char *

filename

)

file exists ?

Parameters

filename

File name

Definition at line 520 of file read_isaacs.c.

findnode()

xmlNodePtr findnode	(	xmlNodePtr	startnode,
		char *	nname )

find XML node

Parameters

startnode	Starting node
nname	Node name to find

Definition at line 539 of file read_isaacs.c.

open_xml()

gchar * open_xml

(

const char *

filetoread

)

Open ISAACS XML file.

Parameters

filetoread

File name

Definition at line 1421 of file read_isaacs.c.

setbox()

int setbox

(

xmlNodePtr

boxnode

)

read box properties from node

Parameters

boxnode

the XML node

Definition at line 868 of file read_isaacs.c.

setchemistry()

int setchemistry

(

xmlNodePtr

xsnode

)

read chemistry data from node

Parameters

xsnode

the XML node

Definition at line 774 of file read_isaacs.c.

setcutoffs()

int setcutoffs

(

xmlNodePtr

cutnode

)

read bond cutoffs from node

Parameters

cutnode

the XML node

Definition at line 1118 of file read_isaacs.c.

setpbc()

int setpbc

(

xmlNodePtr

pbcnode

)

read the PBC information from node

Parameters

pbcnode

the XML node

Definition at line 1061 of file read_isaacs.c.

setprop()

int setprop

(

xmlNodePtr

pnode

)

read chemical properties from XML node

Parameters

pnode

the XML node

Definition at line 582 of file read_isaacs.c.

settime()

int settime

(

xmlNodePtr

timenode

)

read MD information from node

Parameters

timenode

the XML node

Definition at line 1183 of file read_isaacs.c.

strfind()

size_t strfind

(

int *

ida

)

testopening()

int testopening	(	char *	tdata,
		char *	tfichier )

test atomic coordinates file opening

Parameters

tdata	Type of coordinates
tfichier	File name

Definition at line 698 of file read_isaacs.c.

write_xml()

int write_xml

(

const char *

filetosave

)

write XML file

Parameters

filetosave

File to write

Definition at line 498 of file read_isaacs.c.

XmlwriterFilename()

int XmlwriterFilename

(

const char *

uri

)

write ISAACS XML file

Parameters

uri	the file name

Definition at line 108 of file read_isaacs.c.