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root/OpenMD/branches/development/src/utils/Utility.cpp

Comparing:
trunk/src/utils/Utility.cpp (file contents), Revision 3 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
branches/development/src/utils/Utility.cpp (file contents), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

#	Line 1 | Line 1
1	+	/*
2	+	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3	+	*
4	+	* The University of Notre Dame grants you ("Licensee") a
5	+	* non-exclusive, royalty free, license to use, modify and
6	+	* redistribute this software in source and binary code form, provided
7	+	* that the following conditions are met:
8	+	*
9	+	* 1. Redistributions of source code must retain the above copyright
10	+	*    notice, this list of conditions and the following disclaimer.
11	+	*
12	+	* 2. Redistributions in binary form must reproduce the above copyright
13	+	*    notice, this list of conditions and the following disclaimer in the
14	+	*    documentation and/or other materials provided with the
15	+	*    distribution.
16	+	*
17	+	* This software is provided "AS IS," without a warranty of any
18	+	* kind. All express or implied conditions, representations and
19	+	* warranties, including any implied warranty of merchantability,
20	+	* fitness for a particular purpose or non-infringement, are hereby
21	+	* excluded.  The University of Notre Dame and its licensors shall not
22	+	* be liable for any damages suffered by licensee as a result of
23	+	* using, modifying or distributing the software or its
24	+	* derivatives. In no event will the University of Notre Dame or its
25	+	* licensors be liable for any lost revenue, profit or data, or for
26	+	* direct, indirect, special, consequential, incidental or punitive
27	+	* damages, however caused and regardless of the theory of liability,
28	+	* arising out of the use of or inability to use software, even if the
29	+	* University of Notre Dame has been advised of the possibility of
30	+	* such damages.
31	+	*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
35	+	*
36	+	* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	+	* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	+	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	+	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	+	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41	+	*/
42	+
43	+
44		#include "utils/Utility.hpp"
2	–	#include <vector>
3	–	#include <iostream>
4	–	#include <math.h>
5	–	using namespace std;
45
46	<	double dotProduct(vector<double>& v1, vector<double>& v2){
8	<	double sum;
46	>	namespace OpenMD {
47
48	<	sum = 0;
48	>	bool replaceWithWildCard(std::vector<std::vector<std::string>::iterator>& cont,
49	>	std::vector<std::string>& sequence, std::vector<std::string>& result, const std::string& wildCard) {
50	>	if (cont.size() > sequence.size()) {
51	>	std::cerr << "the size of iterator container is greater than the size of sequence";
52	>	}
53
54	<	if(v1.size() != v2.size()){
55	<	cerr << "Utility Error: dimension of two vectors are not matched" << endl;
56	<	exit(-1);
57	<	}
58	<
59	<	for(int  i = 0; i < v1.size(); i++)
60	<	sum += v1[i]*v2[i];
61	<	return sum;
62	<	}
54	>	bool hasMoreCombination = next_combination(cont, sequence.begin(), sequence.end());
55	>	if (hasMoreCombination) {
56	>	result.clear();
57	>	result.insert(result.begin(), sequence.size(), wildCard);
58	>	std::vector<std::vector<std::string>::iterator>::iterator i;
59	>	for ( i = cont.begin(); i != cont.end(); i++){
60	>	result[*i - sequence.begin()] = **i;
61	>	}
62	>	}
63
64	<	double norm2(vector<double>& x){
65	<	return sqrt(dotProduct(x, x));
66	<	}
64	>	return hasMoreCombination;
65	>
66	>	}//end replaceWildCard
67	>
68	>	}

Comparing:
trunk/src/utils/Utility.cpp (property svn:keywords), Revision 3 by tim, Fri Sep 24 16:27:58 2004 UTC vs.
branches/development/src/utils/Utility.cpp (property svn:keywords), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

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