Fred Ludlow

Expiry of old results

25

I've added a small extra feature that recalculates if a result is older than a certain age. ``` @memory.cache(expires_after=60) def f(x): ... ``` Will recompute if cached result is older...

TransformMol does not consider numpy.ndarray flags?

2

Hi there, I'm using `rdkit.Chem.AllChem.TransformMol` from python. This takes a molecule and a numpy array. For various reasons, I'm getting a matrix (from other code) that needs transposing before it's...

Contributing code - extending filter logic

2

Hi, I've been using sqlalchemy-mixins in a project recently and found it really useful. One thing I wanted to be able to do was to have more complex logic when...

See comment on #823

In the constructor of ParserLoader we copy ParserParams into a new object, which requires this class to know details of all other parsers. Would perhaps be simpler to strip LoaderParameters...

NGL supports updating atomic coordinates (there's an updatePosition method on structure, and the trajectory viewer works this way). Currently however, there's not really a consistent way to listen for coordinate...

At some point between 2.0.0-dev.37 and current master we lost dot and slice representations: * The 'dot' representation (in the [color/volume](https://nglviewer.org/ngl/?script=color/volume) example) doesn't display. This is working in the version...

There's a mixture of upper and lowercase bond orders in the wild "SING", "DOUB" vs "sing", "doub" etc. Quick fix