If you are using GitLab outside of the ILL, then you will need to use HTTPS and not SSH for clone/push/pull operations. SSH will work normally if you are using the VPN.

Commit 68bcdf58 authored by Remi Perenon's avatar Remi Perenon

Rolling back modifications that broke functional tests

parent d7a22b4a
......@@ -127,6 +127,10 @@ class DynamicCoherentStructureFactor(IJob):
traj = self.configuration['trajectory']['instance']
qVectors = self.configuration["q_vectors"]["value"][shell]["q_vectors"]
qVectors = traj.universe._boxToRealPointArray(qVectors.T)
qVectors = qVectors.T
rho = {}
for element in self.configuration['atom_selection']['unique_names']:
......@@ -136,6 +140,8 @@ class DynamicCoherentStructureFactor(IJob):
for i, frame in enumerate(self.configuration['frames']['value']):
conf = traj.configuration[frame]
for element,idxs in self._indexesPerElement.items():
selectedCoordinates = numpy.take(conf.array, idxs, axis=0)
......@@ -50,6 +50,10 @@ class OutputData(collections.OrderedDict):
for fmt in formats:
REGISTRY["format"][fmt].write(basename, self, header)
def __setitem__(self, item, value):
# Explicitely discard any changes on output data
class IOutputVariable(numpy.ndarray):
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment