dlp_copy.c File Reference

Functions to copy force field and related data structures. More...

#include "dlp_field.h"
#include "global.h"

Include dependency graph for dlp_copy.c:

Go to the source code of this file.

Functions
void	print_all_field_struct (field_molecule *mol, int str)
	print all field structural element(s)
field_atom *	duplicate_field_atom (field_atom *old_fat)
	create copy of a field atom data structure
field_shell *	duplicate_field_shell (field_shell *old_shell)
	create copy of a field shell data structure
field_constraint *	duplicate_field_constraint (field_constraint *old_cons)
	create copy of a field constraint data structure
field_pmf *	duplicate_field_pmf (field_pmf *old_pmf)
	create copy of a field PMF data structure
field_rigid *	duplicate_field_rigid (field_rigid *old_rig)
	create copy of a field rigid data structure
field_tethered *	duplicate_field_tethered (field_tethered *old_tet)
	create copy of a field tethered data structure
field_prop *	duplicate_field_prop (field_prop *old_prop, int ti)
	create a copy of a field property
gboolean	check_this_other_prop (int oid, int nat, field_prop *other)
	check if field atom already in field property
void	duplicate_other_prop (int oid, field_struct *old_fstr, field_struct *new_fstr)
	create copy of a field property 'other' list
field_struct *	duplicate_field_struct (field_struct *old_fstr)
	create copy of a field structural element
field_struct *	duplicate_field_struct_list (field_struct *list_str, gboolean init)
	create copy of list of field structural element(s)
void	duplicate_nbody_params (field_nth_body *new_fbody, field_nth_body *old_fbody)
	copy field body parameter list
field_nth_body *	duplicate_field_nth_body (field_nth_body *old_fbody)
	create copy of a field body property
field_external *	duplicate_field_external (field_external *old_fext)
	create copy of a field external property
field_molecule *	duplicate_field_molecule (field_molecule *old_fmol)
	create copy of a field molecule
classical_field *	duplicate_classical_field (classical_field *init_field)
	create copy of a force field

Detailed Description

Functions to copy force field and related data structures.

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 dlp_copy.c.

Function Documentation

check_this_other_prop()

gboolean check_this_other_prop	(	int	oid,
		int	nat,
		field_prop *	other )

check if field atom already in field property

Parameters

oid	the field atom id to search for
nat	the number of atoms in the field property
other	the field structural property to check

Definition at line 247 of file dlp_copy.c.

duplicate_classical_field()

classical_field * duplicate_classical_field

(

classical_field *

init_field

)

create copy of a force field

Parameters

init_field

the force field to duplicate

Definition at line 519 of file dlp_copy.c.

duplicate_field_atom()

field_atom * duplicate_field_atom

(

field_atom *

old_fat

)

create copy of a field atom data structure

Parameters

old_fat

the field atom to duplicate

Definition at line 67 of file dlp_copy.c.

duplicate_field_constraint()

field_constraint * duplicate_field_constraint

(

field_constraint *

old_cons

)

create copy of a field constraint data structure

Parameters

old_cons

the field constraint to duplicate

Definition at line 127 of file dlp_copy.c.

duplicate_field_external()

field_external * duplicate_field_external

(

field_external *

old_fext

)

create copy of a field external property

Parameters

old_fext

the field external property to duplicate

Definition at line 412 of file dlp_copy.c.

duplicate_field_molecule()

field_molecule * duplicate_field_molecule

(

field_molecule *

old_fmol

)

create copy of a field molecule

Parameters

old_fmol

the feld molecule to duplicate

Definition at line 436 of file dlp_copy.c.

duplicate_field_nth_body()

field_nth_body * duplicate_field_nth_body

(

field_nth_body *

old_fbody

)

create copy of a field body property

Parameters

old_fbody

the field body property to duplicate

Definition at line 365 of file dlp_copy.c.

duplicate_field_pmf()

field_pmf * duplicate_field_pmf

(

field_pmf *

old_pmf

)

create copy of a field PMF data structure

Parameters

old_pmf

the field PMF to duplicate

Definition at line 149 of file dlp_copy.c.

duplicate_field_prop()

field_prop * duplicate_field_prop	(	field_prop *	old_prop,
		int	ti )

create a copy of a field property

Parameters

old_prop	the field property to duplicate
ti	the type of field property

Definition at line 218 of file dlp_copy.c.

duplicate_field_rigid()

field_rigid * duplicate_field_rigid

(

field_rigid *

old_rig

)

create copy of a field rigid data structure

Parameters

old_rig

the field rigid to duplicate

Definition at line 176 of file dlp_copy.c.

duplicate_field_shell()

field_shell * duplicate_field_shell

(

field_shell *

old_shell

)

create copy of a field shell data structure

Parameters

old_shell

the field shell to duplicate

Definition at line 101 of file dlp_copy.c.

duplicate_field_struct()

field_struct * duplicate_field_struct

(

field_struct *

old_fstr

)

create copy of a field structural element

Parameters

old_fstr

the field structural element to duplicate

Definition at line 300 of file dlp_copy.c.

duplicate_field_struct_list()

field_struct * duplicate_field_struct_list	(	field_struct *	list_str,
		gboolean	init )

create copy of list of field structural element(s)

Parameters

list_str	the list of field structural element(s) to duplicate
init

Definition at line 325 of file dlp_copy.c.

duplicate_field_tethered()

field_tethered * duplicate_field_tethered

(

field_tethered *

old_tet

)

create copy of a field tethered data structure

Parameters

old_tet

the field tethered to duplicate

Definition at line 197 of file dlp_copy.c.

duplicate_nbody_params()

void duplicate_nbody_params	(	field_nth_body *	new_fbody,
		field_nth_body *	old_fbody )

copy field body parameter list

Parameters

new_fbody	the body parameters to fill
old_fbody	the body parameters to duplicate

Definition at line 350 of file dlp_copy.c.

duplicate_other_prop()

void duplicate_other_prop	(	int	oid,
		field_struct *	old_fstr,
		field_struct *	new_fstr )

create copy of a field property 'other' list

Parameters

oid	the target field atom id
old_fstr	the field property to duplicate
new_fstr	the field property to store the results

Definition at line 269 of file dlp_copy.c.

print_all_field_struct()

void print_all_field_struct ( field_molecule * mol, int str )

extern

print all field structural element(s)

Parameters

mol	the target field molecule
str	the type of structural element

Definition at line 195 of file dlp_print.c.