angle.h File Reference

Include file for angle functions. More...

#include "MathType.h"
#include "SysDefs.h"
#include "deprecated.h"

Go to the source code of this file.

Macros
#define	_ANGLE_H_DEPRECATED

Functions
REAL	blAngle (REAL xi, REAL yi, REAL zi, REAL xj, REAL yj, REAL zj, REAL xk, REAL yk, REAL zk)
REAL	blPhi (REAL xi, REAL yi, REAL zi, REAL xj, REAL yj, REAL zj, REAL xk, REAL yk, REAL zk, REAL xl, REAL yl, REAL zl)
REAL	blSimpleangle (REAL ang)
REAL	blTrueAngle (REAL opp, REAL adj)
BOOL	blTorToCoor (VEC3F ant1, VEC3F ant2, VEC3F ant3, REAL bond, REAL theta, REAL torsion, VEC3F *coords)

Detailed Description

Include file for angle functions.

Version

V1.10

Date

14.08.14

Copyright

(c) UCL / Dr. Andrew C. R. Martin 1993-2014

Author

Dr. Andrew C. R. Martin

Institute of Structural & Molecular Biology, University College London, Gower Street, London. WC1E 6BT.

andre.nosp@m.w@bi.nosp@m.oinf..nosp@m.org..nosp@m.uk andre.nosp@m.w.ma.nosp@m.rtin@.nosp@m.ucl..nosp@m.ac.uk

This code is NOT IN THE PUBLIC DOMAIN, but it may be copied according to the conditions laid out in the accompanying file COPYING.DOC.

The code may be modified as required, but any modifications must be documented so that the person responsible can be identified.

The code may not be sold commercially or included as part of a commercial product except as described in the file COPYING.DOC.

Description:

Usage:

Revision History:

• V1.5 27.03.95
• V1.6 09.07.96 Added TorToCoor()
• V1.7 06.09.96 Added includes
• V1.8 07.07.14 Use bl prefix for functions By: CTP
• V1.9 31.07.14 Updated deprecation: Removed deprecated.h and added prototypes for renamed functions. By: CTP
• V1.10 14.08.14 Moved deprecated function prototypes to deprecated.h By: CTP

Definition in file angle.h.

Macro Definition Documentation

#define _ANGLE_H_DEPRECATED

Definition at line 95 of file angle.h.

Function Documentation

REAL blAngle	(	REAL	xi,
		REAL	yi,
		REAL	zi,
		REAL	xj,
		REAL	yj,
		REAL	zj,
		REAL	xk,
		REAL	yk,
		REAL	zk
	)

Parameters

[in]	xi	Input coordinate
[in]	yi	Input coordinate
[in]	zi	Input coordinate
[in]	xj	Input coordinate
[in]	yj	Input coordinate
[in]	zj	Input coordinate
[in]	xk	Input coordinate
[in]	yk	Input coordinate
[in]	zk	Input coordinate

Returns

The angle between the 3 atoms

Calculates the angle between three sets of coordinates

• 07.02.89 Original By: ACRM
• 04.03.91 Fixed return value
• 16.06.93 Changed float to REAL
• 07.07.14 Use bl prefix for functions By: CTP

Definition at line 150 of file angle.c.

REAL blPhi	(	REAL	xi,
		REAL	yi,
		REAL	zi,
		REAL	xj,
		REAL	yj,
		REAL	zj,
		REAL	xk,
		REAL	yk,
		REAL	zk,
		REAL	xl,
		REAL	yl,
		REAL	zl
	)

Parameters

[in]	xi	Input coordinate
[in]	yi	Input coordinate
[in]	zi	Input coordinate
[in]	xj	Input coordinate
[in]	yj	Input coordinate
[in]	zj	Input coordinate
[in]	xk	Input coordinate
[in]	yk	Input coordinate
[in]	zk	Input coordinate
[in]	xl	Input coordinate
[in]	yl	Input coordinate
[in]	zl	Input coordinate

Returns

The torsion angle between the 4 atoms

Calculates the torsion angle described by 4 sets of coordinates.

• 04.03.91 Original By: ACRM
• 16.06.93 Changed float to REAL
• 07.07.14 Use bl prefix for functions By: CTP
• 17.07.14 Removed unused variables By: ACRM

Definition at line 107 of file phi.c.

REAL blSimpleangle

(

REAL

ang

)

Parameters

[in]

ang

An angle

Returns

Simplified angle

Simplifies a signed angle to an unsigned angle <=2*PI

• 07.02.89 Original By: ACRM
• 04.03.91 Fixed return value
• 16.06.93 Changed float to REAL
• 07.07.14 Use bl prefix for functions By: CTP

Definition at line 95 of file simpleangle.c.

BOOL blTorToCoor	(	VEC3F	ant1,
		VEC3F	ant2,
		VEC3F	ant3,
		REAL	bond,
		REAL	theta,
		REAL	torsion,
		VEC3F *	coords
	)

Parameters

[in]	ant1	First antecedent atom coordinates
[in]	ant2	Second antecedent atom coordinates
[in]	ant3	Third antecedent atom coordinates
[in]	bond	Bond length from ant3 to new atom
[in]	theta	Bond angle ant2-ant3-new
[in]	torsion	Torsion angle ant1-ant2-ant3-new
[out]	*coords	Coordinates of new atom

Returns

TRUE if distance between atoms 2 and 3 is < ETA (1.07e-7)

Calculates cartesian coordinates for an atom given the coordinates of three antecedant atoms and the bond length, angle and torsion angle

• 08.07.96 Original By: ACRM based on earlier FORTRAN code
• 07.07.14 Use bl prefix for functions By: CTP

Definition at line 104 of file TorCoor.c.

REAL blTrueAngle	(	REAL	opp,
		REAL	adj
	)

Parameters

[in]	opp	Opposite length
[in]	adj	Adjacent length

Returns

Angle between 0 and 2PI

Return the +ve angle between 0 and 2PI given the opp and adj values.

• 25.07.94 Original By: ACRM
• 07.07.14 Use bl prefix for functions By: CTP

Definition at line 107 of file TrueAngle.c.