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root/OpenMD/branches/development/src/io/StatWriter.cpp
Revision: 1241
Committed: Fri Apr 25 15:14:47 2008 UTC (17 years ago) by gezelter
Original Path: trunk/src/io/StatWriter.cpp
File size: 4338 byte(s)
Log Message:
A bunch of minor changes to make MPI compilation faster than
the double compilation we do now...

File Contents

# User Rev Content
1 gezelter 507 /*
2 gezelter 246 * 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. Acknowledgement of the program authors must be made in any
10     * publication of scientific results based in part on use of the
11     * program. An acceptable form of acknowledgement is citation of
12     * the article in which the program was described (Matthew
13     * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14     * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15     * Parallel Simulation Engine for Molecular Dynamics,"
16     * J. Comput. Chem. 26, pp. 252-271 (2005))
17     *
18     * 2. Redistributions of source code must retain the above copyright
19     * notice, this list of conditions and the following disclaimer.
20     *
21     * 3. Redistributions in binary form must reproduce the above copyright
22     * notice, this list of conditions and the following disclaimer in the
23     * documentation and/or other materials provided with the
24     * distribution.
25     *
26     * This software is provided "AS IS," without a warranty of any
27     * kind. All express or implied conditions, representations and
28     * warranties, including any implied warranty of merchantability,
29     * fitness for a particular purpose or non-infringement, are hereby
30     * excluded. The University of Notre Dame and its licensors shall not
31     * be liable for any damages suffered by licensee as a result of
32     * using, modifying or distributing the software or its
33     * derivatives. In no event will the University of Notre Dame or its
34     * licensors be liable for any lost revenue, profit or data, or for
35     * direct, indirect, special, consequential, incidental or punitive
36     * damages, however caused and regardless of the theory of liability,
37     * arising out of the use of or inability to use software, even if the
38     * University of Notre Dame has been advised of the possibility of
39     * such damages.
40     */
41    
42 gezelter 2 #define _LARGEFILE_SOURCE64
43     #define _FILE_OFFSET_BITS 64
44    
45 gezelter 246 #include "io/StatWriter.hpp"
46 tim 3 #include "utils/simError.h"
47 gezelter 2
48 gezelter 246 namespace oopse {
49 tim 681 StatsBitSet parseStatFileFormat(const std::string& format) {
50     StringTokenizer tokenizer(format, " ,;|\t\n\r");
51     StatsBitSet mask;
52     while(tokenizer.hasMoreTokens()) {
53     std::string token(tokenizer.nextToken());
54     toUpper(token);
55     Stats::StatsMapType::iterator i = Stats::statsMap.find(token);
56     if (i != Stats::statsMap.end()) {
57     mask.set(i->second);
58     } else {
59     sprintf( painCave.errMsg,
60     "%s is not a valid statFileFormat keyword.\n", token.c_str() );
61     painCave.isFatal = 0;
62     painCave.severity = OOPSE_ERROR;
63     simError();
64     }
65     }
66    
67     return mask;
68     }
69    
70 gezelter 507 StatWriter::StatWriter( const std::string& filename, const StatsBitSet& mask) : mask_(mask){
71 gezelter 2
72     #ifdef IS_MPI
73 gezelter 507 if(worldRank == 0 ){
74 gezelter 2 #endif // is_mpi
75    
76 gezelter 507 statfile_.open(filename.c_str(), std::ios::out | std::ios::trunc );
77 gezelter 2
78 gezelter 507 if( !statfile_ ){
79 gezelter 2
80 gezelter 507 sprintf( painCave.errMsg,
81     "Could not open \"%s\" for stat output.\n",
82     filename.c_str());
83     painCave.isFatal = 1;
84     simError();
85     }
86 gezelter 2
87 gezelter 507 writeTitle();
88 gezelter 2
89     #ifdef IS_MPI
90 gezelter 507 }
91 gezelter 2
92 gezelter 507 sprintf( checkPointMsg,
93     "Sucessfully opened output file for stating.\n");
94 gezelter 1241 errorCheckPoint();
95 gezelter 2 #endif // is_mpi
96    
97 gezelter 507 }
98 gezelter 2
99 gezelter 507 StatWriter::~StatWriter( ){
100 gezelter 2
101     #ifdef IS_MPI
102 gezelter 507 if(worldRank == 0 ){
103 gezelter 2 #endif // is_mpi
104    
105 gezelter 507 statfile_.close();
106 gezelter 2
107     #ifdef IS_MPI
108 gezelter 507 }
109     #endif // is_mpi
110 gezelter 2 }
111    
112 gezelter 507 void StatWriter::writeTitle() {
113 gezelter 2
114    
115 gezelter 246 #ifdef IS_MPI
116     if(worldRank == 0 ){
117     #endif // is_mpi
118 gezelter 2
119 gezelter 507 //write title
120     statfile_ << "#";
121     for (int i =0; i < mask_.size(); ++i) {
122     if (mask_[i]) {
123     statfile_ << "\t" << Stats::getTitle(i) << "(" << Stats::getUnits(i) << ")";
124     }
125     }
126     statfile_ << std::endl;
127 gezelter 246
128 gezelter 2 #ifdef IS_MPI
129 gezelter 507 }
130     #endif // is_mpi
131 gezelter 246 }
132    
133 gezelter 507 void StatWriter::writeStat(const Stats& s){
134 gezelter 246
135     #ifdef IS_MPI
136     if(worldRank == 0 ){
137 gezelter 2 #endif // is_mpi
138    
139 gezelter 507 statfile_.precision(8);
140 gezelter 2
141 gezelter 507 for (int i =0; i < mask_.size(); ++i) {
142     if (mask_[i]) {
143     statfile_ << "\t" << s[i];
144     }
145     }
146     statfile_ << std::endl;
147 gezelter 2
148 gezelter 507 statfile_.flush();
149 gezelter 2
150     #ifdef IS_MPI
151 gezelter 246 }
152 gezelter 2 #endif // is_mpi
153 gezelter 507 }
154 gezelter 2
155 gezelter 246 }