d832d3c29a
- fix plugin directory location (#680292, patch by lg) - show forcefields list in obenergy output (#680292, patch by lg)
19 lines
580 B
Diff
19 lines
580 B
Diff
--- openbabel-2.3.0_orig/tools/obenergy.cpp 2010-10-10 06:05:20.000000000 +0400
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+++ openbabel-2.3.0/tools/obenergy.cpp 2011-03-19 18:58:18.000000000 +0300
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@@ -40,6 +40,7 @@
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int verbose = 0;
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bool hydrogens = false;
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string basename, filename = "", option, option2, ff = "";
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+ OBConversion conv;
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if (argc < 2) {
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cout << "Usage: obenergy [options] <filename>" << endl;
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@@ -89,7 +90,6 @@
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}
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// Find Input filetype
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- OBConversion conv;
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OBFormat *format_in = conv.FormatFromExt(filename.c_str());
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if (!format_in || !conv.SetInFormat(format_in)) {
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