Minor clean-up to gmxapi package.
authorM. Eric Irrgang <ericirrgang@gmail.com>
Thu, 26 Sep 2019 12:17:49 +0000 (15:17 +0300)
committerEric Irrgang <ericirrgang@gmail.com>
Wed, 16 Oct 2019 15:07:06 +0000 (17:07 +0200)
commit1f82e445e932c902e10215fc65b7195275d30d04
tree25c6c0f9edeae14dbd40cf1c691856250802d2ae
parent7bbfb57c90d90bfd40857f094bdc49802d5a60fb
Minor clean-up to gmxapi package.

* Resolve some linting warnings and potential import ambiguities.
* Apply recommended pybind iteration mechanism for Python objects.
* Remove some extraneous syntax and imports.
* Make explicit a call that relied on positional argument processing.
* Alias an imported name (Future) to avoid namespace collision.
* Normalize initialization of DataSourceCollection.
  * Make sure that initialization at construction uses the same setter
    code path as subscripted assignment on the object instances.
  * Add ResultDescription to gmxapi.operation.Future.

Change-Id: Ia687929302edd85a0af616b1d947db21e2f3876e
python_packaging/src/gmxapi/export_context.cpp
python_packaging/src/gmxapi/export_system.cpp
python_packaging/src/gmxapi/operation.py
python_packaging/src/gmxapi/pycontext.cpp
python_packaging/src/gmxapi/simulation/context.py
python_packaging/src/gmxapi/simulation/fileio.py
python_packaging/src/gmxapi/simulation/modify_input.py
python_packaging/src/gmxapi/typing.py