dlp_active.c File Reference

Functions to retrieve data in the force field structure. More...

#include "dlp_field.h"

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Functions
field_molecule *	get_active_field_molecule_from_model_id (project *this_proj, int aid)
	retrieve field molecule from overall atom id in the model
field_molecule *	get_active_field_molecule (int a)
	retrieve field molecule
field_nth_body *	get_active_body (int a, int b)
	retrieve field nth body interaction
field_external *	get_active_external (int a)
	retrieve external field property
field_atom *	get_active_atom (int a, int b)
	retrieve field atom
field_shell *	get_active_shell (int a, int b)
	retrieve shell property
field_constraint *	get_active_constraint (int a, int b)
	retrieve constraint property
field_pmf *	get_active_pmf (int a, int b)
	retrieve PMF property
field_rigid *	get_active_rigid (int a, int b)
	retrieve rigid property
field_tethered *	get_active_tethered (int a, int b)
	retrieve tethered property
field_prop *	get_active_prop (struct field_prop *pr, int a)
	the field molecule structural property id to retrieve
field_prop *	get_active_prop_using_atoms (struct field_prop *pr, int ti, int *ids)
	retrieve field molecule structural property using atoms
field_struct *	get_active_struct (int s, int a, int b)
	retrieve field structural property

Detailed Description

Functions to retrieve data in the force field structure.

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_active.c.

Function Documentation

get_active_atom()

field_atom * get_active_atom	(	int	a,
		int	b )

retrieve field atom

Parameters

a	the id of the field molecule
b	the id of the field atom to retrieve

Definition at line 145 of file dlp_active.c.

get_active_body()

field_nth_body * get_active_body	(	int	a,
		int	b )

retrieve field nth body interaction

Parameters

a	the id of the body interaction to retrieve
b	the type of body interaction

Definition at line 106 of file dlp_active.c.

get_active_constraint()

field_constraint * get_active_constraint	(	int	a,
		int	b )

retrieve constraint property

Parameters

a	the id of the field molecule
b	the id of the constraint to retrieve

Definition at line 185 of file dlp_active.c.

get_active_external()

field_external * get_active_external

(

int

a

)

retrieve external field property

Parameters

a	the id of the external field property to retrieve

Definition at line 125 of file dlp_active.c.

get_active_field_molecule()

field_molecule * get_active_field_molecule

(

int

a

)

retrieve field molecule

Parameters

a	the id of the field molecule to retrieve

Definition at line 87 of file dlp_active.c.

get_active_field_molecule_from_model_id()

field_molecule * get_active_field_molecule_from_model_id	(	project *	this_proj,
		int	aid )

retrieve field molecule from overall atom id in the model

Parameters

this_proj	the target project
aid	the target atom id

Definition at line 59 of file dlp_active.c.

get_active_pmf()

field_pmf * get_active_pmf	(	int	a,
		int	b )

retrieve PMF property

Parameters

a	the id of the field molecule
b	the id of the PMF property to retrieve

Definition at line 205 of file dlp_active.c.

get_active_prop()

field_prop * get_active_prop	(	struct field_prop *	pr,
		int	a )

the field molecule structural property id to retrieve

Parameters

pr	the pointer on the field molecule properties to browse
a	the id of the field molecule property to retrieve

Definition at line 265 of file dlp_active.c.

get_active_prop_using_atoms()

field_prop * get_active_prop_using_atoms	(	struct field_prop *	pr,
		int	ti,
		int *	ids )

retrieve field molecule structural property using atoms

Parameters

pr	the pointer on the field molecule properties to browse
ti	the number of atoms for this property
ids	the atoms to search for

Definition at line 286 of file dlp_active.c.

get_active_rigid()

field_rigid * get_active_rigid	(	int	a,
		int	b )

retrieve rigid property

Parameters

a	the id of the field molecule
b	the id of the rigid property to retrieve

Definition at line 225 of file dlp_active.c.

get_active_shell()

field_shell * get_active_shell	(	int	a,
		int	b )

retrieve shell property

Parameters

a	the id of the field molecule
b	the id of the shell property to retrieve

Definition at line 165 of file dlp_active.c.

get_active_struct()

field_struct * get_active_struct	(	int	s,
		int	a,
		int	b )

retrieve field structural property

Parameters

s	the type of structural property
a	the field molecule id
b	the structural property id to retrieve

Definition at line 318 of file dlp_active.c.

get_active_tethered()

field_tethered * get_active_tethered	(	int	a,
		int	b )

retrieve tethered property

Parameters

a	the id of the field molecule
b	the id of the tethered to retrieve

Definition at line 245 of file dlp_active.c.