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Fix LB node interface #3978

Merged
merged 5 commits into from
Oct 29, 2020
Merged

Fix LB node interface #3978

merged 5 commits into from
Oct 29, 2020

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jngrad
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@jngrad jngrad commented Oct 28, 2020

Description of changes:

  • incorrect LB node grid indices (e.g. lbf[0,0].velocity) are now caught
  • incorrect LB node grid indices type (e.g. lbf[0,0,0.1]) now produce the correct error message
  • it is now legal to write lbf[0,0,0].velocity = np.array([0,0,0])
  • add patch for regression in boost 1.74

Without this check, the method may return None.
The np.array() casts the entire array to string if the last element
is a string, causing the assertion in LBFluidRoutines() to complain
about the first element being a string, which it is not in the user
input. The logic for the assertion in HydrodynamicInteraction() can
also be replaced by utils.check_type_or_throw_except().
@jngrad jngrad added the Python label Oct 28, 2020
@jngrad jngrad added this to the Espresso 4.2 milestone Oct 28, 2020
@jngrad jngrad requested a review from reinaual October 28, 2020 17:42
@jngrad jngrad force-pushed the lb-node-interface branch from 9f460ea to 926fce0 Compare October 28, 2020 19:56
This <boost/serialization/version.hpp> include guards against an issue
in boost::serialization from boost 1.74.0 that leads to compiler error
"explicit specialization of undeclared template struct 'version'" when
including <boost/serialization/optional.hpp>. More details in tickets:
boostorg/serialization#210
boostorg/serialization#217
@KaiSzuttor KaiSzuttor added the automerge Merge with kodiak label Oct 29, 2020
@kodiakhq kodiakhq bot merged commit d79a313 into espressomd:python Oct 29, 2020
@jngrad jngrad deleted the lb-node-interface branch January 18, 2022 12:14
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3 participants