src/io/ZConsReader.cpp

 /*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 */
 
#include "io/ZConsReader.hpp"
#include "utils/simError.h"
#include "utils/StringUtils.hpp"
namespace oopse {

ZConsReader::ZConsReader(SimInfo* info) : info_(info){

    std::string zconsFileName_ = getPrefix(info_->getFinalConfigFileName()) + ".fz";
    istream_.open(zconsFileName_.c_str());

    if (!istream_){
        std::cerr << "open " << zconsFileName_ << "error" << std::endl;
        exit(1);
    }

    Globals* simParam = info_->getSimParams();
    int nZconstraints = simParam->getNzConstraints();
    ZconStamp** stamp = simParam->getZconStamp();
    for (int i = 0; i < nZconstraints; i++){
        allZmols_.push_back(stamp[i]->getMolIndex());
    } 
}

ZConsReader::~ZConsReader(){
  istream_.close();
}

void ZConsReader::readNextFrame(){
    char line[MAXBUFFERSIZE];  
    int nFixedZmol;
    int sscanfCount;

    fixedZmolData_.clear();

    while(istream_.getline(line, MAXBUFFERSIZE) && line[0] == '/' && line[1] == '/');
    sscanfCount = sscanf(line, "%lf", &curTime_);
    if (sscanfCount != 1){
        std::cerr << "ZConsReader Error : reading file error" << std::endl;
        exit(1);
    }

    istream_.getline(line, MAXBUFFERSIZE);
    sscanfCount = sscanf(line, "%d", &nFixedZmol);
    if (sscanfCount != 1){
        std::cerr << "ZConsReader Error : reading file error" << std::endl;
        exit(1);
    }

    ZconsData data;
    for(int i = 0; i < nFixedZmol; i++){
        istream_.getline(line, MAXBUFFERSIZE);
        sscanfCount = sscanf(line, "%d\t%lf\t%lf\t%lf", &data.zmolIndex, &data.zforce, &data.zpos,&data.zconsPos);
        if (sscanfCount != 4){
          std::cerr << "ZConsReader Error : reading file error" << std::endl;
          exit(1);
        }

        fixedZmolData_.push_back(data);
    }

}

bool ZConsReader::hasNextFrame(){
  return istream_.peek() != EOF ? true : false;
}

}
Revision:	1930
Committed:	Wed Jan 12 22:41:40 2005 UTC (19 years, 5 months ago) by gezelter
File size:	3921 byte(s)
Log Message:	merging new_design branch into OOPSE-2.0
#	User	Rev	Content
1	gezelter	1930	/*
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. 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	tim	1492	#include "io/ZConsReader.hpp"
43			#include "utils/simError.h"
44	gezelter	1930	#include "utils/StringUtils.hpp"
45			namespace oopse {
46	gezelter	1490
47	gezelter	1930	ZConsReader::ZConsReader(SimInfo* info) : info_(info){
48	gezelter	1490
49	gezelter	1930	std::string zconsFileName_ = getPrefix(info_->getFinalConfigFileName()) + ".fz";
50			istream_.open(zconsFileName_.c_str());
51	gezelter	1490
52	gezelter	1930	if (!istream_){
53			std::cerr << "open " << zconsFileName_ << "error" << std::endl;
54			exit(1);
55	gezelter	1490	}
56
57	gezelter	1930	Globals* simParam = info_->getSimParams();
58			int nZconstraints = simParam->getNzConstraints();
59			ZconStamp** stamp = simParam->getZconStamp();
60			for (int i = 0; i < nZconstraints; i++){
61			allZmols_.push_back(stamp[i]->getMolIndex());
62			}
63	gezelter	1490	}
64
65			ZConsReader::~ZConsReader(){
66	gezelter	1930	istream_.close();
67	gezelter	1490	}
68
69	gezelter	1930	void ZConsReader::readNextFrame(){
70			char line[MAXBUFFERSIZE];
71			int nFixedZmol;
72			int sscanfCount;
73	gezelter	1490
74	gezelter	1930	fixedZmolData_.clear();
75	gezelter	1490
76	gezelter	1930	while(istream_.getline(line, MAXBUFFERSIZE) && line[0] == '/' && line[1] == '/');
77			sscanfCount = sscanf(line, "%lf", &curTime_);
78			if (sscanfCount != 1){
79			std::cerr << "ZConsReader Error : reading file error" << std::endl;
80			exit(1);
81			}
82	gezelter	1490
83	gezelter	1930	istream_.getline(line, MAXBUFFERSIZE);
84			sscanfCount = sscanf(line, "%d", &nFixedZmol);
85			if (sscanfCount != 1){
86			std::cerr << "ZConsReader Error : reading file error" << std::endl;
87			exit(1);
88	gezelter	1490	}
89
90	gezelter	1930	ZconsData data;
91			for(int i = 0; i < nFixedZmol; i++){
92			istream_.getline(line, MAXBUFFERSIZE);
93			sscanfCount = sscanf(line, "%d\t%lf\t%lf\t%lf", &data.zmolIndex, &data.zforce, &data.zpos,&data.zconsPos);
94			if (sscanfCount != 4){
95			std::cerr << "ZConsReader Error : reading file error" << std::endl;
96			exit(1);
97			}
98	gezelter	1490
99	gezelter	1930	fixedZmolData_.push_back(data);
100	gezelter	1490	}
101
102			}
103
104			bool ZConsReader::hasNextFrame(){
105	gezelter	1930	return istream_.peek() != EOF ? true : false;
106	gezelter	1490	}
107
108	gezelter	1930	}