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Commit 32e2f05

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Fix missing Sire API conversion.
1 parent d36f94a commit 32e2f05

2 files changed

Lines changed: 2 additions & 2 deletions

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  • python/BioSimSpace
    • Metadynamics/CollectiveVariable
    • Sandpit/Exscientia/Metadynamics/CollectiveVariable

python/BioSimSpace/Metadynamics/CollectiveVariable/_funnel.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1164,7 +1164,7 @@ def viewFunnel(system, collective_variable, property_map={}):
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helium = _SireMol.Element("He")
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# Add the coordinaates and element property.
1167-
for x in range(0, funnel_mol.nAtoms()):
1167+
for x in range(0, funnel_mol.num_atoms()):
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idx = _SireMol.AtomIdx(x)
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funnel_mol = (
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funnel_mol.atom(idx).set_property(coordinates, funnel_coords[x]).molecule()

python/BioSimSpace/Sandpit/Exscientia/Metadynamics/CollectiveVariable/_funnel.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -1164,7 +1164,7 @@ def viewFunnel(system, collective_variable, property_map={}):
11641164
helium = _SireMol.Element("He")
11651165

11661166
# Add the coordinaates and element property.
1167-
for x in range(0, funnel_mol.nAtoms()):
1167+
for x in range(0, funnel_mol.num_atoms()):
11681168
idx = _SireMol.AtomIdx(x)
11691169
funnel_mol = (
11701170
funnel_mol.atom(idx).set_property(coordinates, funnel_coords[x]).molecule()

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