← Back to branch summary

~ubuntu-branches/debian/stretch/openbabel/stretch

« back to all changes in this revision

Viewing changes to src/formats/gamessformat.cpp

  • Committer: Package Import Robot
  • Author(s): Daniel Leidert
  • Date: 2013-05-22 19:08:27 UTC
  • mfrom: (1.1.11) (7.1.9 sid)
  • Revision ID: package-import@ubuntu.com-20130522190827-72q0fnx5y2nm3bc0
Tags: 2.3.2+dfsg-1
* New upstream release.
* debian/control: Dropped DM-Upload-Allowed field.
  (Standards-Version): Bumped to 3.9.4.
* debian/copyright: Massive update.
* debian/upstream: Author name update.
* debian/get-orig-source.sh: Remove the windows-*/ directory too.
* debian/openbabel.install: Removed roundtrip manpage.
* debian/openbabel-gui.install: Fixed manpage name.
* debian/openbabel-gui.links: Removed unused file.
* debian/rules: Enable OpenMP. Disable tests on `nocheck'.
* debian/patches/gaussformat_nosym.patch: Dropped. Applied upstream.
* debian/patches/moldenformat_coordonly.patch: Ditto.
* debian/patches/obspectrophore_man.patch: Ditto.
* debian/patches/fix_ftbfs.patch: Added.
  - Fix several FTBFS issues in upstream build system.
* debian/patches/series: Adjusted.

Show diffs side-by-side

added added

removed removed

Lines of Context:
src/formats/gamessformat.cpp
953
953
                  break;
954
954
              }
955
955
          }
 
956
        if (strstr(buffer,"$FMOXYZ") != NULL) {
 
957
          while (strstr(buffer, "$END") == NULL) {
 
958
            tokenize(vs,buffer);
 
959
            if(vs.size() == 5) {
 
960
              atom = mol.NewAtom();
 
961
              atom->SetAtomicNum(atoi(vs[1].c_str()));
 
962
              x = atof((char*)vs[2].c_str());
 
963
              y = atof((char*)vs[3].c_str());
 
964
              z = atof((char*)vs[4].c_str());
 
965
              atom->SetVector(x,y,z);
 
966
            }
 
967
            if (!ifs.getline(buffer,BUFF_SIZE))
 
968
              break;
 
969
          }
 
970
        }
956
971
        if(strstr(buffer,"$EFRAG") != NULL)
957
972
          {
958
973
            while (strstr(buffer,"FRAGNAME") == NULL)