def DistanceTest():
c = basetypes.TCoord(3, 8, 1)
c1 = basetypes.TCoord(4, 5, 2)
d = geomutils.Distance(c, c1)
print(d)
print('')
ca = []
ca1 = []
c = basetypes.TCoord(5, 1, 1)
ca.append(c)
c = basetypes.TCoord(4, 6, 8)
ca.append(c)
c = basetypes.TCoord(1, 2, 1)
ca.append(c)
c = basetypes.TCoord(4, 3, 5)
ca1.append(c)
c = basetypes.TCoord(2, 0, 6)
ca1.append(c)
c = basetypes.TCoord(7, 3, 6)
ca1.append(c)
da = geomutils.Distance(ca, ca1)
for f in range(len(da)):
print(da[f])
print('')
q1 = geomutils.TQuaternion(4, 2, 1, 3)
q2 = geomutils.TQuaternion(2, 2, 3, 1)
d = geomutils.Distance(q1, q2)
print(d)
def IsSame(Cix1, Mix1, Cix2, Mix2, DockRun):
Result = geomutils.Distance(DockRun.ConstraintSets[Cix1].DockModels[Mix1].Rotation,
DockRun.ConstraintSets[Cix2].DockModels[Mix2].Rotation) <= 1e-12
if Result:
Result = geomutils.Distance(DockRun.ConstraintSets[Cix1].DockModels[Mix1].TransVec,
DockRun.ConstraintSets[Cix2].DockModels[Mix2].TransVec) <= 1e-12
# Return Boolean
return Result
def FarthestPoint(Points, Subset, LastPoint=-1):
if LastPoint < 0:
LastPoint = len(Subset) - 1
Result = -1
best = -1
for f in range(len(Points)):
tmp = geomutils.Distance(Points[f], Subset[0])
for g in range(1, LastPoint):
d = geomutils.Distance(Points[f], Subset[g])
if d < tmp:
tmp = d
if tmp > best:
best = tmp
Result = f
# Return Integer
return Result
def SRSurface(Points, Radii, SpherePoints, MinHashCell=0):
Result = []
if Points is None:
# Return TFloats
return Result
else:
hashcell = LargestRadius(Radii) * 2
if hashcell < MinHashCell:
hashcell = MinHashCell
ghash = geomhash.TGeomHasher(Points, hashcell)
for f in range(len(Points)):
ixs = ghash.ListNeighbours(Points[f])
countouts = 0
for g in range(len(SpherePoints)):
sphere = geomutils.Add(
geomutils.Scaled(SpherePoints[g], Radii[f]), Points[f])
intersect = False
for h in range(len(ixs)):
if (ixs[h] is not f) and (geomutils.Distance(
sphere, Points[ixs[h]]) < Radii[ixs[h]]):
intersect = True
break
if not intersect:
countouts = countouts + 1
Result.append(4 * geomutils.PI * (Radii[f])**2 /
len(SpherePoints) * countouts)
# Return TFloats
return Result
def AtomsInContact(Atoms1, Atoms2, Dist):
Result = False
for f in range(len(Atoms1)):
for g in range(len(Atoms2)):
if geomutils.Distance(Atoms1[f].Coords, Atoms2[f].Coords) <= Dist:
# Return Boolean
return True
# Return Boolean
return False
def IsRendundant(self, Points, MinDist):
Result = False
for f in range(len(self.FRotationPoints)):
Result = True
for g in range(len(Points)):
if geomutils.Distance(Points[g],
self.FRotationPoints[f][g]) > MinDist:
Result = False
break
if Result:
break
# Return Boolean
return Result
def IsInnerPoint(self, C):
tmpc = geomutils.Multiply(geomutils.Add(C, self.FShiftToGrid),
self.FInvGridStep)
Result = False
x1, x2 = self.GridBounds(tmpc[0], self.FHighX)
y1, y2 = self.GridBounds(tmpc[1], self.FHighY)
z1, z2 = self.GridBounds(tmpc[2], self.FHighZ)
for x in range(x1, x2 + 1):
for y in range(y1, y2 + 1):
for z in range(z1, z2 + 1):
for f in range(len(self.FHashGrid[x][y][z])):
ix = self.FHashGrid[x][y][z][f]
if geomutils.Distance(
C, self.FPoints[ix]) < self.FRads[ix]:
Result = True
break
if Result:
break
if Result:
break
if Result:
break
# Return Boolean
return Result