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Performance
Execution time
The most extensive timings were done with the Python implementation of
cansmiles on one of our data sets:
- C version took 3.1 seconds,
- DaySWIG Python version took 3.2 seconds,
- PyDaylight version took 7 seconds.
A more realistic example, John Bradshaw's "make_parents":
- C version took 1.34 seconds and 344 lines,
- PyDaylight version took 7.5 seconds and 259 lines,
- 6 times slower and 25% smaller.
Developer time
- We can develop new algorithms faster and better
- Writing programs takes about a 1/3 as long,
- Fewer bugs and memory leaks,
- Smaller learning curve.
- Prototype in Python first, then recode in C,
- Computers are still getting cheaper and faster,