schrodinger.application.jaguar.jaguar_diff module¶

Classes for parsing Jaguar output files and accessing output properties programmatically.

schrodinger.application.jaguar.jaguar_diff.is_valid_str(obj)¶: Check if an object is sufficiently string like (i.e. has lower method) in order to compare with CaseInsensitiveString

schrodinger.application.jaguar.jaguar_diff.str_compare_error(op: str, this, that)¶

Raise a TypeError for using a comparison op on invalid types.

This helps CaseInsensitiveString more closely match the behavior of str.

class schrodinger.application.jaguar.jaguar_diff.CaseInsensitiveString¶

Bases: str

A class that behaves like a regular string except that comparisons are done on a case insensitive basis.

schrodinger.application.jaguar.jaguar_diff.compare_a_none(a, b)¶: Comparison if one or both values are a None. Assume None is always less than any value

schrodinger.application.jaguar.jaguar_diff.compare_float(a, b, precision)¶: Compare two floats to the specified precision.

schrodinger.application.jaguar.jaguar_diff.compare_angle(a, b, precision)¶

Compare two angles to the specified precision, taking into account modulo 360 being equivalent. We also don’t care about the sign.

Return type: int
Returns: 0 if angles considered equivalent, 1 if angles considered different