clustering.py
def calcClusterGroups(dists, ligandsim, target_names, t, t2, ligandt):
    '''dists is a distance matrix (full) for target_names'''
    assigned = set()
    groups = []
    for i in range(dists.shape[0]):
        if i not in assigned:
            group = assignGroup(dists, ligandsim, t, t2, ligandt, set([i]),target_names)
            groups.append(group)
            assigned.update(group)
    return [set(target_names[i] for i in g) for g in groups]
dists is a distance matrix (full) for target_names
dists is a distance matrix (full) for target_names
dists is a distance matrix ( full ) for target_names
def calcClusterGroups(dists, ligandsim, target_names, t, t2, ligandt):
    assigned = set()
    groups = []
    for i in range(dists.shape[0]):
        if i not in assigned:
            group = assignGroup(dists, ligandsim, t, t2, ligandt, set([i]),target_names)
            groups.append(group)
            assigned.update(group)
    return [set(target_names[i] for i in g) for g in groups]
def calcClusterGroups ( dists , ligandsim , target_names , t , t2 , ligandt ) : assigned = set ( ) groups = [ ] for i in range ( dists . shape [ 0 ] ) : if i not in assigned : group = assignGroup ( dists , ligandsim , t , t2 , ligandt , set ( [ i ] ) , target_names ) groups . append ( group ) assigned . update ( group ) return [ set ( target_names [ i ] for i in g ) for g in groups ]
dists is a distance matrix (full) for target_names
dists is a distance matrix ( full ) for target_names
'''dists is a distance matrix (full) for target_names'''
dists
ligandsim
target_names
t
t2
ligandt