gnu/packages/patches/openbabel-fix-crash-on-nwchem-output.patch

   1 From 52cea818bf68f8a2d3c48d55d00c2f8b7da25e4c Mon Sep 17 00:00:00 2001
   2 From: Daniel Hogan <daniel.hogan@usask.ca>
   3 Date: Tue, 28 Mar 2017 22:21:18 -0600
   4 Subject: [PATCH] Remove delete statement.
   5
   6 When from_scratch is true, coordinates is not allocated. A separate if
   7 statement was added to handle the case when from_scratch is true that
   8 does not try to free coordinates.
   9 ---
  10  src/formats/nwchemformat.cpp | 9 ++++++---
  11  1 file changed, 6 insertions(+), 3 deletions(-)
  12
  13 diff --git a/src/formats/nwchemformat.cpp b/src/formats/nwchemformat.cpp
  14 index 6f625ad5b..79298555f 100644
  15 --- a/src/formats/nwchemformat.cpp
  16 +++ b/src/formats/nwchemformat.cpp
  17 @@ -232,11 +232,14 @@ static const char* OPTIMIZATION_END_PATTERN = "  Optimization converged";
  18            break;
  19          tokenize(vs,buffer);
  20      }
  21 -    if ((from_scratch)||(i != natoms))
  22 -      {
  23 +    if (from_scratch)
  24 +    {
  25 +        return;
  26 +    }
  27 +    if (i != natoms) {
  28          delete[] coordinates;
  29          return;
  30 -      }
  31 +    }
  32      molecule->AddConformer(coordinates);
  33    }
  34