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
#	Content
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. 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	#include "io/ZConsReader.hpp"
43	#include "utils/simError.h"
44	#include "utils/StringUtils.hpp"
45	namespace oopse {
46
47	ZConsReader::ZConsReader(SimInfo* info) : info_(info){
48
49	std::string zconsFileName_ = getPrefix(info_->getFinalConfigFileName()) + ".fz";
50	istream_.open(zconsFileName_.c_str());
51
52	if (!istream_){
53	std::cerr << "open " << zconsFileName_ << "error" << std::endl;
54	exit(1);
55	}
56
57	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	}
64
65	ZConsReader::~ZConsReader(){
66	istream_.close();
67	}
68
69	void ZConsReader::readNextFrame(){
70	char line[MAXBUFFERSIZE];
71	int nFixedZmol;
72	int sscanfCount;
73
74	fixedZmolData_.clear();
75
76	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
83	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	}
89
90	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
99	fixedZmolData_.push_back(data);
100	}
101
102	}
103
104	bool ZConsReader::hasNextFrame(){
105	return istream_.peek() != EOF ? true : false;
106	}
107
108	}