Daniel Stöckel
Daniel Stöckel
Currently `POVRenderer` seems to be the only renderer that actually uses the old `Stage` material system. We should port `POVRenderer` to the new system so that the `Stage` system can...
The current tutorial is vastly outdated in some areas: - Screenshots - Buildsystem - URLs - List of developers - List of publications We should update this as soon as...
When trying to reproduce bug #536 I used BALLViews "Build from SMILES" functionality to generate the suggested example molecule: ``` COc1=c2c(=cc=c1)OCCCCCCCCOc1=c(c3=c4c(=c2c2=cc=cc=c32)c=cc=c4)c(=cc=c1)O ``` However, processing of this SMILE never terminates. Processing...
The AmberFF_test sometimes fails with the following error message (the numbers are always the same): ``` checking [EXTRA] Additivity of energies w/ selection... (line 511 TEST_REAL_EQUAL(r4_r1 - r4_i, r1_r4 -...
Currently BaseIterator defines the `difference_type` as `Position`. Unfortunately many `Composite`-derived classes define Position as `Composite*`, which makes no sense as a difference_type. This breaks compatibility of our iterators with many...
ufmt is a package combining black and usort to be used in CI pipelines. This PR adds the necessary packages from PyPI. Recipes were generated using grayskull. Checklist - [x]...
First of all *thank you* for µfmt, it is a really useful addition to my CI pipelines. So useful, that I am in the process of packaging it for conda-forge....
This is a collection of minor fixes that resolve: * A compilation error * Dramatically reduce the amount of warnings generated by GCC 7.x