1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
|
/*
Theseus - maximum likelihood superpositioning of macromolecular structures
Copyright (C) 2004-2015 Douglas L. Theobald
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the:
Free Software Foundation, Inc.,
59 Temple Place, Suite 330,
Boston, MA 02111-1307 USA
-/_|:|_|_\-
*/
#ifndef MAT3UTILS_SEEN
#define MAT3UTILS_SEEN
void
Mat3Print(double **matrix);
double
**Mat3Ident(double **matrix);
int
Mat3Eq(const double **matrix1, const double **matrix2, const double precision);
double
Mat3FrobDiff(const double **matrix1, const double **matrix2);
int
Mat3FrobEq(const double **matrix1, const double **matrix2, const double precision);
void
Mat3Cpy(double **matrix2, const double **matrix1);
void
Mat3MultOp(double **C, const double **A, const double **B);
void
Mat3MultIp(double **A, const double **B);
void
Mat3MultUSVOp(double **C, const double **U, double *S, const double **V);
void
Mat3PreMultIp(const double **A, double **B);
void
Mat3Sqr(double **C, const double **A);
void
Mat3SqrTrans2(double **C, const double **A);
void
Mat3SqrTrans1(double **C, const double **A);
void
Mat3TransSqr(double **C, const double **A);
void
Mat3MultTransA(double **C, const double **A, const double **B);
void
Mat3MultTransB(double **C, const double **A, const double **B);
void
Mat3Add(double **C, const double **A, const double **B);
void
Mat3Sub(double **A, double **B, double **C);
void
Mat3TransposeIp(double **matrix);
void
Mat3TransposeOp(double **matrix2, const double **matrix1);
double
Mat3Det(const double **matrix);
void
Mat3Invert(double **outmat, const double **inmat);
void
Mat3SymInvert(double **outmat, const double **inmat);
void
Mat3MultVec(double *outv, const double **inmat, const double *vec);
int
VerifyRotMat(double **rotmat, double tol);
void
ClosestRotMatIp(double **inmat);
double
RotMat2AxisAngle(double **rot, double *v);
double
RotMat2AxisAngleQuat(double **rot, double *v);
#endif
|
