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Axel Pahl apahl

  • MPI of Molecular Physiology (Dortmund)
  • Germany, Dortmund (work) / Hannover (home)
  • 02:40 (UTC +02:00)
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apahl / test_smiles.cpp
Created October 9, 2017 11:53
test_smiles.cpp
/* Generated by Nim Compiler v0.17.3 */
/* (c) 2017 Andreas Rumpf */
/* The generated code is subject to the original license. */
/* Compiled for: Linux, amd64, gcc */
/* Command for C compiler:
g++ -c -w -w -fpermissive -D_GLIBCXX_USE_CXX11_ABI=0 -I/home/pahl/progs/nim/lib -I/home/pahl/dev/github/rdkit/Code/ -o /home/pahl/dev/nim/rdkit/nimcache/test_smiles.o /home/pahl/dev/nim/rdkit/nimcache/test_smiles.cpp */
#define NIM_NEW_MANGLING_RULES
#define NIM_INTBITS 64
#include "nimbase.h"
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apahl / gist:631d13002e633372cffb3fbf48cd8385
Last active September 21, 2018 16:02
go module question
Module structure:
~/dev/go/collect
$ tree
.
├── go.mod
├── go.sum
├── LICENSE.txt
├── maps
│   ├── maps_gen.go
│   ├── maps.go
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apahl / test.nim
Created September 24, 2018 08:25
where would the Table (not TableRef) inside a `ref object` be located? Stack or heap?
import tables
type MyObj = ref object
a: int
t: Table[int, int] # where would this table be located?
when isMainModule:
var obj = MyObj(a: 1, t: {1: 1, 2: 2}.toTable)
echo obj.t
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apahl / test.nim
Created September 25, 2018 09:13
Do I have to implement a hash for my enum?
import tables
type
Element* {.pure.} = enum
invalid = (-1, "Inv"),
unknown = (0, "*"),
hydrogen = (1, "H"),
boron = (5, "B"),
carbon = (6, "C"),
nitrogen = (7, "N"),
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apahl / nim_magic.py
Last active October 21, 2019 13:53
Nim cell magic for Jupyter and JLab Notebooks
"""
nim_magic.py
Jupyter cell magic for your favorite programming language.
This is now also available as a proper repo:
https://github.com/apahl/nim_magic
All further changes will be tracked there.
Requirements: Nim (https://nim-lang.org), nimpy (`nimble install nimpy`, thanks to @yglukhov for this great library!)
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apahl / iterrows.ipynb
Last active September 14, 2020 11:28
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apahl / ecfc_stereo.ipynb
Last active February 12, 2021 13:18
Can RDKit's ECFC4 fingerprint distinguish between stereoisomers? TL;DR: no.
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