fit.h File Reference

Include file for least squares fitting. More...

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

Go to the source code of this file.

Macros
#define	_FIT_H_DEPRECATED

Functions
BOOL	blMatfit (COOR *x1, COOR *x2, REAL rm[3][3], int n, REAL *wt1, BOOL column)

Detailed Description

Include file for least squares fitting.

Version

V1.4

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:

• V1.0 04.02.91 Original
• V1.1 08.12.92 Removed qikfit() prototype as is static
• V1.2 07.07.14 Use bl prefix for functions By: CTP
• V1.3 31.07.14 Updated deprecation: Removed deprecated.h and added prototypes for renamed functions. By: CTP
• V1.4 14.08.14 Moved deprecated function prototypes to deprecated.h By: CTP

Definition in file fit.h.

Macro Definition Documentation

#define _FIT_H_DEPRECATED

Definition at line 70 of file fit.h.

Function Documentation

BOOL blMatfit	(	COOR *	x1,
		COOR *	x2,
		REAL	rm[3][3],
		int	n,
		REAL *	wt1,
		BOOL	column
	)

Parameters

[in]	*x1	First (fixed) array of coordinates
[in]	*x2	Second (mobile) array of coordinates
[in]	n	Number of coordinates
[in]	*wt1	Weight array or NULL
[in]	column	TRUE: Output a column-wise matrix (as used by FRODO) FALSE: Output a standard row-wise matrix.
[out]	rm	Returned rotation matrix

Returns

TRUE: success FALSE: error

Fit coordinate array x2 to x1 both centred around the origin and of length n. Optionally weighted with the wt1 array if wt1 is not NULL. If column is set the matrix will be returned column-wise rather than row-wise.

• 04.02.91 Original based on code by Mike Sutcliffe
• 01.06.92 ANSIed & doc'd
• 17.06.93 various changes for release (including parameters)
• 11.03.94 column changed to BOOL
• 25.11.02 Corrected header!
• 07.07.14 Use bl prefix for functions By: CTP

Definition at line 128 of file fit.c.