Deactivated
Deactivated
For some cases it would be useful to load directly from a [file-like object](https://docs.python.org/3/glossary.html#term-file-object). For instance if you are loading structures from a package tarball you get the data as...
My first attempt at supporting PEP 517 (i.e. pyproject.toml). This approach uses Cython as a build dependency. Feel free to dismiss, just wanted to share in case it might be...
**Describe the bug** When attempting to install locally with pip I can't get the `--use-pkg-config` to take effect. **To reproduce** ```console $ pip install . --install-option='--use-pkg-config' WARNING: Disabling all use...
Due to this issue: https://github.com/pypa/setuptools_scm/issues/653 and brokenness in setuptools itself it is currently not possible to turn `setuptools_scm` off if it is installed inside the build environment. That means if...
For large topologies this function is far too slow to be practical. The implementation had no optimizations applied so there is likely some easy things to do like not relying...
This is naively implemented and for large sets of traces it is kind of inefficient. We could implement a strategy that detects chunks of trace idxs that are contiguous in...
The API for all boundary conditions does not include a method for computing the `progress` for a walker. This is implemented as `_progress` currently and was private just to not...
There is some basic considerations towards this, but a more thorough audit needs to be done to make sure that this is supported in a first class way. Currently, if...
Somewhat related to #22. Data in WepyHDF5 is laid out in an Struct-of-Array (SoA) format. This is well suited for a small number of long trajectory datasets and for larger...