Use readMolecules to read NAMD output since MoleculeParser segfaults.

OpenBioSim · Apr 10, 2024 · 2ec7ee7 · 2ec7ee7
1 parent 621b75a
commit 2ec7ee7
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Showing 2 changed files with 2 additions and 6 deletions.
diff --git a/python/BioSimSpace/Process/_namd.py b/python/BioSimSpace/Process/_namd.py
@@ -774,9 +774,7 @@ def getSystem(self, block="AUTO"):
                     is_lambda1 = False
 
                 # Load the restart file.
-                new_system = _System(
-                    _SireIO.MoleculeParser.read(files, self._property_map)
-                )
+                new_system = _IO.readMolecules(files, property_map=self._property_map)
 
                 # Create a copy of the existing system object.
                 old_system = self._system.copy()

diff --git a/python/BioSimSpace/Sandpit/Exscientia/Process/_namd.py b/python/BioSimSpace/Sandpit/Exscientia/Process/_namd.py
@@ -759,9 +759,7 @@ def getSystem(self, block="AUTO"):
                     is_lambda1 = False
 
                 # Load the restart file.
-                new_system = _System(
-                    _SireIO.MoleculeParser.read(files, self._property_map)
-                )
+                new_system = _IO.readMolecules(files, property_map=self._property_map)
 
                 # Create a copy of the existing system object.
                 old_system = self._system.copy()