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Viewing changes to src/formats/MCDLformat.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.

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src/formats/MCDLformat.cpp
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  std::vector <int> nH(MAXFRAGS);
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  std::vector <int> nF(MAXFRAGS);
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//  int nb;//,na;
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  int i,j,nt,n1,n2;//,n3, nfrag;
 
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  unsigned int i, j, nt, n1, n2;//,n3, nfrag;
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  bool test;
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  OBAtom sa;
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  string mf="";
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  std::vector <string> names(MAXFRAGS);
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  int netcharge=0;
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  int netradical=0;
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  int nelements=0;
 
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  unsigned int nelements=0;
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  int kk;
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  string value="";
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  int acount,bcount,flags;
 
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  unsigned int acount, bcount, flags;
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  std::vector <int> iA1(MAXBONDS);
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  std::vector <int> iA2(MAXBONDS);
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bool MCDLFormat::parseFormula(const string formulaString, std::vector <int>& enumber) {
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  //vector<string> items;
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  int i,n,k,n1,n2;//,j,nStart;
 
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  unsigned int i, n, k, n1, n2;//,j,nStart;
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  string s;
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  bool test;
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  string asym;