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docs for seqdist to iterNeighbors
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jamesmkrieger committed Nov 5, 2023
1 parent 73d89b7 commit f411813
Showing 1 changed file with 9 additions and 2 deletions.
11 changes: 9 additions & 2 deletions prody/measure/contacts.py
Original file line number Diff line number Diff line change
Expand Up @@ -133,14 +133,21 @@ def getUnitcell(self):

def iterNeighbors(atoms, radius, atoms2=None, unitcell=None, seqdist=None):
"""Yield pairs of *atoms* that are within *radius* of each other and the
distance between them. If *atoms2* is also provided, one atom from *atoms*
distance between them.
If *atoms2* is also provided, one atom from *atoms*
and another from *atoms2* will be yielded. If one of *atoms* or *atoms2*
is a coordinate array, pairs of indices and distances will be yielded.
When orthorhombic *unitcell* dimensions are provided, periodic boundary
conditions will be taken into account (see :class:`.KDTree` and also
:func:`wrapAtoms` for details). If *atoms* is a :class:`.Frame` instance
and *unitcell* is not provided, unitcell information from frame will be
if available."""
used if available.
If *seqdist* is provided, neighbors will be filtered out if the
sequence distance is greater than *seqdist*.
"""

radius = float(radius)
if radius <= 0:
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