diff --git a/propka/calculations.py b/propka/calculations.py index 915b713..1c48384 100644 --- a/propka/calculations.py +++ b/propka/calculations.py @@ -2,15 +2,6 @@ import math -# TODO - this file should be broken into three separate files: -# * calculations.py - includes basic functions for calculating distances, etc. -# * hydrogen.py - includes bonding and protonation functions -# * energy.py - includes energy functions (dependent on distance functions) - - -# TODO - the next set of functions form a distinct "module" for distance calculation - - # Maximum distance used to bound calculations of smallest distance MAX_DISTANCE = 1e6