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
|
// $Id: testMatCalc.cpp 1625 2011-01-13 04:22:56Z glandrum $
//
// Copyright (C) 2003-2006 Rational Discovery LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include "MetricFuncs.h"
#include "MetricMatrixCalc.h"
#include <cstdlib>
#include <time.h>
using namespace RDDataManip;
int main() {
int n = 10;
int m = 3;
int dlen = n*(n-1)/2;
int i, j;
double *desc = new double[n*m];
double **desc2D = new double*[n];
for (i = 0; i < n; i++) {
desc2D[i] = desc;
desc += m;
}
desc = desc2D[0];
for (i = 0; i < n; i++) {
for (j = 0; j < m ; j++) {
desc[i*m + j] = ((double)rand())/10;
}
}
//double x = EuclideanDistanceMetric(desc2D[0], desc2D[1], m);
double *dmat = new double[dlen];
MetricMatrixCalc<double**, double*> mmCalc;
mmCalc.setMetricFunc(&EuclideanDistanceMetric<double *, double *>);
mmCalc.calcMetricMatrix(desc2D, n, m, dmat);
for (i = 0; i < dlen; i++) {
std::cout << dmat[i] << "\n";
}
delete [] desc2D;
delete [] desc;
delete [] dmat;
exit(0);
}
|
