本文整理汇总了Python中Geometry.sqrdistance方法的典型用法代码示例。如果您正苦于以下问题：Python Geometry.sqrdistance方法的具体用法？Python Geometry.sqrdistance怎么用？Python Geometry.sqrdistance使用的例子？那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类Geometry的用法示例。
在下文中一共展示了Geometry.sqrdistance方法的2个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的Python代码示例。
示例1: build_Grid
# 需要导入模块: import Geometry [as 别名]
# 或者: from Geometry import sqrdistance [as 别名]
def build_Grid(self):
try:
for sph in self.dictSpheres.keys():
if float(1.0 / self.Spacer) - float(int(1.0 / self.Spacer)) > 0.001:
xmin = float(int((self.dictSpheres[sph][1][0] - self.dictSpheres[sph][0]) / self.Spacer)) * self.Spacer;
ymin = float(int((self.dictSpheres[sph][1][1] - self.dictSpheres[sph][0]) / self.Spacer)) * self.Spacer;
zmin = float(int((self.dictSpheres[sph][1][2] - self.dictSpheres[sph][0]) / self.Spacer)) * self.Spacer;
xmax = float(int((self.dictSpheres[sph][1][0] + self.dictSpheres[sph][0]) / self.Spacer) + 1.0) * self.Spacer;
ymax = float(int((self.dictSpheres[sph][1][1] + self.dictSpheres[sph][0]) / self.Spacer) + 1.0) * self.Spacer;
zmax = float(int((self.dictSpheres[sph][1][2] + self.dictSpheres[sph][0]) / self.Spacer) + 1.0) * self.Spacer;
else:
xmin = float(int(self.dictSpheres[sph][1][0] - self.dictSpheres[sph][0] - self.Spacer));
ymin = float(int(self.dictSpheres[sph][1][1] - self.dictSpheres[sph][0] - self.Spacer));
zmin = float(int(self.dictSpheres[sph][1][2] - self.dictSpheres[sph][0] - self.Spacer));
xmax = float(int(self.dictSpheres[sph][1][0] + self.dictSpheres[sph][0] + self.Spacer + 1.0))
ymax = float(int(self.dictSpheres[sph][1][1] + self.dictSpheres[sph][0] + self.Spacer + 1.0))
zmax = float(int(self.dictSpheres[sph][1][2] + self.dictSpheres[sph][0] + self.Spacer + 1.0))
x = xmin
y = ymin
z = zmin
sqrrad = sph.Radius
while z < zmax:
while y < ymax:
while x < xmax:
key = '%8.3f' % x
key += '%8.3f' % y
key += '%8.3f' % z
if key not in self.dictGridPoints:
sqrrad = self.dictSpheres[sph][0] * self.dictSpheres[sph][0]
if Geometry.sqrdistance( self.dictSpheres[sph][1], [ x, y, z ] ) < sqrrad:
self.dictGridPoints[key] = ''
x += self.Spacer
x = xmin
y += self.Spacer
x = xmin
y = ymin
z += self.Spacer
except:
return 1
return 0示例2: write_Partition
# 需要导入模块: import Geometry [as 别名]
# 或者: from Geometry import sqrdistance [as 别名]
def write_Partition(self):
listNoAtom = list()
FromFile = self.Cleft.CleftFile
try:
file = open(FromFile, 'r')
SPHLines = file.readlines()
file.close()
except:
self.top.DisplayMessage(" ERROR: Could not find the parent cleft file.", 1)
return
# Write in the PDB file
TMPFile = open(self.TempPartition, 'w')
TMPFile.write('REMARK PARENTFILE ' + FromFile + '\n')
Vertex = 0
for Line in SPHLines:
if Line.startswith('ATOM '):
index = Line[7:11].strip() # The atom number
coordX = float(Line[30:38].strip()) # The atom X coordinate
coordY = float(Line[39:46].strip()) # The atom Y coordinate
coordZ = float(Line[47:54].strip()) # The atom Z coordinate
radius = float(Line[61:].strip()) # The radius of the sphere
if listNoAtom.count(index) == 0:
for sph in sorted(self.dictSpheres, key=str.lower):
sqrrad = self.dictSpheres[sph].Radius ** 2
sqrdist = Geometry.sqrdistance( [ coordX, coordY, coordZ ], self.dictSpheres[sph].Center )
#if sqrdist <= (self.dictSpheres[sph].Radius+radius)*(self.dictSpheres[sph].Radius+radius):
# ** NEW
# The center of the sphere needs to be inside the 'inserted Spheres'
if sqrdist <= sqrrad:
listNoAtom.append(index)
TMPFile.write(Line)
Vertex = Vertex + 1
break
TMPFile.close()
return Vertex