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root/group/trunk/OOPSE-1.0/libmdtools/ZConsReader.cpp
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Comparing trunk/OOPSE-1.0/libmdtools/ZConsReader.cpp (file contents):
Revision 1334 by gezelter, Fri Jul 16 18:58:03 2004 UTC vs.
Revision 1377 by tim, Fri Jul 23 14:19:00 2004 UTC

# Line 1 | Line 1
1 < #include "ZConsReader.hpp"
2 < #include "simError.h"
3 <
4 < ZConsReader::ZConsReader(SimInfo* info)
5 <                   :istream(NULL){
6 <
7 <  GenericData* data;
8 <  StringData* filename;
9 <  this->info = info;
10 <
11 < //retrieve output filename of z force
1 > #include "ZConsReader.hpp"
2 > #include "simError.h"
3 >
4 > ZConsReader::ZConsReader(SimInfo* info)
5 >                   :istream(NULL){
6 >
7 >  GenericData* data;
8 >  StringData* filename;
9 >  this->info = info;
10 >
11 > //retrieve output filename of z force
12    data = info->getProperty(ZCONSFILENAME_ID);
13    if(!data) {
14  
15        
16      sprintf( painCave.errMsg,
17 <               "ZConsReader error: If you use an ZConstraint\n"
17 >               "ZConsReader error: If you use an ZConstraint\n"
18                 " , you must set output filename of z-force.\n");
19      painCave.isFatal = 1;
20      simError();  
# Line 27 | Line 27 | ZConsReader::ZConsReader(SimInfo* info)
27      if(!filename){
28  
29        sprintf( painCave.errMsg,
30 <                 "ZConsReader error: Can not get property from SimInfo\n");
30 >                 "ZConsReader error: Can not get property from SimInfo\n");
31        painCave.isFatal = 1;
32        simError();  
33          
34      }
35      else{
36 <      zconsFileName = filename->getData();
36 >      zconsFileName = filename->getData();
37      }
38      
39 <  }
40 <
41 <  istream = new ifstream(zconsFileName.c_str());
42 <
43 <  if (!istream){
44 <    cerr << "open " << filename << "error" << endl;
45 <    exit(1);
46 <  }
47 <  
48 <  readHeader();  
49 < }
50 <
51 < ZConsReader::ZConsReader(const string& filename){
52 <  istream = new ifstream(zconsFileName.c_str());
53 <
54 <  if (!istream){
55 <    cerr << "open " << filename << "error" << endl;
56 <    exit(1);
57 <  }
58 <  
59 <  readHeader();  
60 < }
61 <
62 < ZConsReader::~ZConsReader(){
63 <  istream->close();
64 < }
65 <
66 < int ZConsReader::getNumZMol(){
67 <  return nZMol;
68 < }
69 <
70 < vector<int> ZConsReader::getZConsIndex(){
71 <  return index;
72 < }
73 <
74 < vector<double> ZConsReader::getZConsPos(){
75 <  return zconsPos;
76 < }
77 <
78 < //double ZConsReader::getKRatio(){
79 < //  return kRatio;
80 < //}
81 <    
82 < double ZConsReader::getCurTime(){
83 <  return curTime;
84 < }
85 <
86 < vector<double> ZConsReader::getCurZPos(){
87 <  return curZPos;
88 < }
89 <
90 < vector<double> ZConsReader::getCurFZ(){
91 <  return curFZ;
92 < }
93 <
94 < void ZConsReader::readHeader(){
95 <  const int MAXBUFFERSIZE = 2000;
96 <  char line[MAXBUFFERSIZE];
97 <  int zmolIndex;
98 <  float zmolPos;
99 <  int sscanfCount;
100 <  
101 <  istream->getline(line, MAXBUFFERSIZE);
102 <
103 <  cout << line << endl;
104 <  //skip the comment lines
105 <  while(line[0] == '#')
106 <      istream->getline(line, MAXBUFFERSIZE);
107 <
108 <  sscanfCount = sscanf(line, "%d", &nZMol);
109 <
110 <  if (sscanfCount != 1){
111 <    cerr << "ZConsReader Error : reading file error" << endl;
112 <    exit(1);
113 <  }
114 <  
115 <  for(int i = 0 ; i < nZMol; i++){
116 <
117 <    istream->getline(line, MAXBUFFERSIZE);
118 <      
119 <    sscanfCount = sscanf(line, "%d\t%f", &zmolIndex, &zmolPos);
120 <    if (sscanfCount != 2){
121 <      cerr << "ZConsReader Error : reading file error" << endl;
122 <      exit(1);    
123 <    }
124 <    
125 <    index.push_back(zmolIndex);
126 <    zconsPos.push_back(zmolPos);
127 <  }
128 <
129 <  curZPos.resize(nZMol);
130 <  curFZ.resize(nZMol);
131 < }
132 <
133 < void ZConsReader::readNextFrame(){
134 <  const int MAXBUFFERSIZE = 2000;
135 <  char line[MAXBUFFERSIZE];  
136 <  int tempNZMol;
137 <  int sscanfCount;
138 <  int tempIndex;
139 <  float tempCurTime;
140 <  float tempFZ;
141 <  float tempCurZPos;
142 <  float tempZconsPos;
143 <  
144 <  istream->getline(line, MAXBUFFERSIZE);
145 <  sscanfCount = sscanf(line, "%f", &tempCurTime);
146 <  if (sscanfCount != 1){
147 <    cerr << "ZConsReader Error : reading file error" << endl;
148 <    exit(1);
149 <  }
150 <  curTime = tempCurTime;
151 <  
152 <  istream->getline(line, MAXBUFFERSIZE);
153 <  sscanfCount = sscanf(line, "%d", &tempNZMol);
154 <  if (sscanfCount != 1){
155 <    cerr << "ZConsReader Error : reading file error" << endl;
156 <    exit(1);
157 <  }
158 <  
159 <  if (tempNZMol != nZMol){
160 <    cerr << "ZConsReader Error: reading file error" << endl;
161 <    exit(1);
162 <  }
163 <
164 <  for(int i = 0; i < nZMol; i++){
165 <    istream->getline(line, MAXBUFFERSIZE);
166 <    sscanfCount = sscanf(line, "%d\t%f\t%f\t%f", &tempIndex, &tempFZ, &tempCurZPos,&tempZconsPos);
167 <    if (sscanfCount != 4){
168 <      cerr << "ZConsReader Error : reading file error" << endl;
169 <      exit(1);
170 <    }
171 <
172 <    index[i] = tempIndex;
173 <    curFZ[i] = tempFZ;
174 <    curZPos[i]= tempCurZPos;
175 <    zconsPos[i] = tempZconsPos;
176 <  }
177 <
178 < }
179 <
180 < bool ZConsReader::hasNextFrame(){
181 <  return istream->peek() != EOF ? true : false;
182 < }
183 <
39 >  }
40 >
41 >  istream = new ifstream(zconsFileName.c_str());
42 >
43 >  if (!istream){
44 >    cerr << "open " << filename << "error" << endl;
45 >    exit(1);
46 >  }
47 >  
48 >  readHeader();  
49 > }
50 >
51 > ZConsReader::ZConsReader(const string& filename){
52 >  istream = new ifstream(zconsFileName.c_str());
53 >
54 >  if (!istream){
55 >    cerr << "open " << filename << "error" << endl;
56 >    exit(1);
57 >  }
58 >  
59 >  readHeader();  
60 > }
61 >
62 > ZConsReader::~ZConsReader(){
63 >  istream->close();
64 > }
65 >
66 > int ZConsReader::getNumZMol(){
67 >  return nZMol;
68 > }
69 >
70 > vector<int> ZConsReader::getZConsIndex(){
71 >  return index;
72 > }
73 >
74 > vector<double> ZConsReader::getZConsPos(){
75 >  return zconsPos;
76 > }
77 >
78 > //double ZConsReader::getKRatio(){
79 > //  return kRatio;
80 > //}
81 >    
82 > double ZConsReader::getCurTime(){
83 >  return curTime;
84 > }
85 >
86 > vector<double> ZConsReader::getCurZPos(){
87 >  return curZPos;
88 > }
89 >
90 > vector<double> ZConsReader::getCurFZ(){
91 >  return curFZ;
92 > }
93 >
94 > void ZConsReader::readHeader(){
95 >  const int MAXBUFFERSIZE = 2000;
96 >  char line[MAXBUFFERSIZE];
97 >  int zmolIndex;
98 >  float zmolPos;
99 >  int sscanfCount;
100 >  
101 >  istream->getline(line, MAXBUFFERSIZE);
102 >
103 >  cout << line << endl;
104 >  //skip the comment lines
105 >  while(line[0] == '#')
106 >      istream->getline(line, MAXBUFFERSIZE);
107 >
108 >  sscanfCount = sscanf(line, "%d", &nZMol);
109 >
110 >  if (sscanfCount != 1){
111 >    cerr << "ZConsReader Error : reading file error" << endl;
112 >    exit(1);
113 >  }
114 >  
115 >  for(int i = 0 ; i < nZMol; i++){
116 >
117 >    istream->getline(line, MAXBUFFERSIZE);
118 >      
119 >    sscanfCount = sscanf(line, "%d\t%f", &zmolIndex, &zmolPos);
120 >    if (sscanfCount != 2){
121 >      cerr << "ZConsReader Error : reading file error" << endl;
122 >      exit(1);    
123 >    }
124 >    
125 >    index.push_back(zmolIndex);
126 >    zconsPos.push_back(zmolPos);
127 >  }
128 >
129 >  curZPos.resize(nZMol);
130 >  curFZ.resize(nZMol);
131 > }
132 >
133 > void ZConsReader::readNextFrame(){
134 >  const int MAXBUFFERSIZE = 2000;
135 >  char line[MAXBUFFERSIZE];  
136 >  int tempNZMol;
137 >  int sscanfCount;
138 >  int tempIndex;
139 >  float tempCurTime;
140 >  float tempFZ;
141 >  float tempCurZPos;
142 >  float tempZconsPos;
143 >  
144 >  istream->getline(line, MAXBUFFERSIZE);
145 >  sscanfCount = sscanf(line, "%f", &tempCurTime);
146 >  if (sscanfCount != 1){
147 >    cerr << "ZConsReader Error : reading file error" << endl;
148 >    exit(1);
149 >  }
150 >  curTime = tempCurTime;
151 >  
152 >  istream->getline(line, MAXBUFFERSIZE);
153 >  sscanfCount = sscanf(line, "%d", &tempNZMol);
154 >  if (sscanfCount != 1){
155 >    cerr << "ZConsReader Error : reading file error" << endl;
156 >    exit(1);
157 >  }
158 >  
159 >  if (tempNZMol != nZMol){
160 >    cerr << "ZConsReader Error: reading file error" << endl;
161 >    exit(1);
162 >  }
163 >
164 >  for(int i = 0; i < nZMol; i++){
165 >    istream->getline(line, MAXBUFFERSIZE);
166 >    sscanfCount = sscanf(line, "%d\t%f\t%f\t%f", &tempIndex, &tempFZ, &tempCurZPos,&tempZconsPos);
167 >    if (sscanfCount != 4){
168 >      cerr << "ZConsReader Error : reading file error" << endl;
169 >      exit(1);
170 >    }
171 >
172 >    index[i] = tempIndex;
173 >    curFZ[i] = tempFZ;
174 >    curZPos[i]= tempCurZPos;
175 >    zconsPos[i] = tempZconsPos;
176 >  }
177 >
178 > }
179 >
180 > bool ZConsReader::hasNextFrame(){
181 >  return istream->peek() != EOF ? true : false;
182 > }
183 >

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