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root/OpenMD/branches/development/src/utils/ElementsTable.cpp
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Comparing branches/development/src/utils/ElementsTable.cpp (file contents):
Revision 1627 by gezelter, Tue Sep 13 22:05:04 2011 UTC vs.
Revision 1874 by gezelter, Wed May 15 15:09:35 2013 UTC

# Line 25 | Line 25 | GNU General Public License for more details.
25   * @file ElementsTable.cpp
26   * @author gezelter
27   * @date 12/21/2007
28 – * @time 11:30am
28   * @version 1.0
29   */
30  
32 – #include <iostream>
31   #include "config.h"
32 +
33 + #include <iostream>
34   #include <cstdlib>
35   #include <string>
36   #include <fstream>
# Line 39 | Line 39 | GNU General Public License for more details.
39   #include "utils/simError.h"
40   #include "io/ifstrstream.hpp"
41  
42 < #if !HAVE_STRNCASECMP
43 < extern "C" int strncasecmp(const char *s1, const char *s2, size_t n);
42 > #ifdef _MSC_VER
43 > #define strncasecmp _strnicmp
44 > #define strcasecmp _stricmp
45   #endif
46  
47 +
48   #ifdef WIN32
49   #define FILE_SEP_CHAR "\\"
50   #else
# Line 66 | Line 68 | namespace OpenMD {
68    
69    ElementsTable::~ElementsTable() {
70      std::vector<Element*>::iterator i;
71 <    for (i = elements_.begin(); i != elements_.end(); i++)
71 >    for (i = elements_.begin(); i != elements_.end(); ++i)
72        delete *i;
73    }
74    
75    void ElementsTable::ParseLine(const char *line) {
76      int num, maxbonds;
77 <    char symbol[5];
77 >    char symbol[6];
78      char name[256];
79      RealType Rcov,Rvdw,mass, elNeg, ionize, elAffin;
80      RealType red, green, blue;
# Line 267 | Line 269 | namespace OpenMD {
269        Init();
270      
271      std::vector<Element*>::iterator i;
272 <    for (i = elements_.begin();i != elements_.end();i++)
272 >    for (i = elements_.begin();i != elements_.end(); ++i)
273        if (!strncasecmp(sym,(*i)->GetSymbol(),2))
274          return((*i)->GetAtomicNum());
275  
# Line 324 | Line 326 | namespace OpenMD {
326        simError();
327      }
328        
329 <    char charBuffer[BUFF_SIZE];
329 >
330      if ((*ifsP)) {
331 +      char charBuffer[BUFF_SIZE];
332        while(ifsP->getline(charBuffer,BUFF_SIZE))
333          ParseLine(charBuffer);
334 <
334 >      
335        if (ifs1)
336          ifs1.close();
337        if (ifs2)

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