def parse(self):
"""Parse the list into proper data format while doing error checking"""
from numpy import array
import string
#check that it it is 2 or 3 dimensional
if array(self.points).ndim is 2:
#we have a single list of points
tempCoords = libsmac.coord_t()
tempCoordlist = libsmac.coordlist_t()
for i in range(0, len(self.points)):
tempCoords[:] = self.points[i]
tempCoordlist.append(tempCoords)
#copy coordlist to our object
self.coords = tempCoordlist
self.pointInformation = {"a": self.coords}
self.dimension = len(self.points[0])
elif array(self.points).ndim is 3:
#we have a multi list!
self.dimension = array(self.points)[0][0].size
if len(self.points) > 26:
raise FormatError(
self, "Python multilist has a maximum of 26 types allowed")
for i in range(0, len(self.points)):
tempCoords = libsmac.coord_t()
tempCoordlist = libsmac.coordlist_t()
for j in range(0, len(self.points[0])):
tempCoords[:] = self.points[i][j]
tempCoordlist.append(tempCoords)
self.pointInformation[
string.ascii_lowercase[i]] = tempCoordlist
del tempCoords
del tempCoordlist
else:
raise FormatError(
self, "PythonList.parse list must be 2 or 3 dimensional")
def parse(self):
"""Parse the list into proper data format while doing error checking"""
from numpy import array
import string
#check that it it is 2 or 3 dimensional
if array(self.points).ndim is 2:
#we have a single list of points
tempCoords = libsmac.coord_t();
tempCoordlist = libsmac.coordlist_t()
for i in range(0,len(self.points)):
tempCoords[:] = self.points[i]
tempCoordlist.append(tempCoords)
#copy coordlist to our object
self.coords = tempCoordlist
self.pointInformation = {"a":self.coords}
self.dimension = len(self.points[0])
elif array(self.points).ndim is 3:
#we have a multi list!
self.dimension = array(self.points)[0][0].size
if len(self.points) > 26:
raise FormatError(self, "Python multilist has a maximum of 26 types allowed")
for i in range(0,len(self.points)):
tempCoords = libsmac.coord_t();
tempCoordlist = libsmac.coordlist_t()
for j in range(0,len(self.points[0])):
tempCoords[:] = self.points[i][j]
tempCoordlist.append(tempCoords)
self.pointInformation[string.ascii_lowercase[i]] = tempCoordlist
del tempCoords
del tempCoordlist
else:
raise FormatError(self, "PythonList.parse list must be 2 or 3 dimensional")
typeText = elem.text
typeList = []
for line in typeText.splitlines():
typeList.append(a)
# After filtering copy over to the coordlist
data = {}
for index, type in enumerate(typeText):
if not data.has_key(type):
data[key] = []
data.key.append(pointList[index])
# Copy over the data into coords, and save into the point information
for type, pointList in data.iteritems():
# Copy over the coordinates to C++
coords = libsmac.coordlist_t()
coords[:] = pointList
# Save the object in the pointInformation
self.pointInformation[type] = coords
def __str__(self):
"""String representation of the hoomd file format"""
return self.formatName + "{" + self.filename + ":" + self.dimension + "}"
# Implementation of the BaseFormat interface
def getText(self):
return self.text
def getFormatName(self):
return self.formatName
typeText = elem.text
typeList = []
for line in typeText.splitlines():
typeList.append(a)
# After filtering copy over to the coordlist
data = {}
for index, type in enumerate(typeText):
if not data.has_key(type):
data[key] = []
data.key.append(pointList[index])
# Copy over the data into coords, and save into the point information
for type, pointList in data.iteritems():
# Copy over the coordinates to C++
coords = libsmac.coordlist_t()
coords[:] = pointList
# Save the object in the pointInformation
self.pointInformation[type] = coords
def __str__(self):
"""String representation of the hoomd file format"""
return self.formatName + "{" + self.filename + ":" + self.dimension + "}"
# Implementation of the BaseFormat interface
def getText(self):
return self.text
def getFormatName(self):
return self.formatName
