mirror of https://github.com/QMCPACK/qmcpack.git
51 lines
1.4 KiB
Python
51 lines
1.4 KiB
Python
|
|
|
|
class qmcsystem:
|
|
lattice = [[0.0, 0.0, 0.0],\
|
|
[0.0, 0.0, 0.0],\
|
|
[0.0, 0.0, 0.0]]\
|
|
|
|
def get_parameter (self, par_elem):
|
|
name = par_elem.attributes["name"]
|
|
print "name = " + name.value
|
|
val = ""
|
|
for elem in par_elem.childNodes:
|
|
print elem
|
|
if elem.nodeType == elem.TEXT_NODE:
|
|
print elem
|
|
val = elem.text
|
|
return (name,val)
|
|
|
|
def check_cell(self, cell_elem):
|
|
for elem in cell_elem.childNodes:
|
|
if elem.nodeType == elem.ELEMENT_NODE:
|
|
n = elem.localName
|
|
print n
|
|
if n == 'parameter':
|
|
self.get_parameter(elem)
|
|
return
|
|
|
|
def check_particleset (self, pset_elem):
|
|
print "checking particleset"
|
|
return
|
|
|
|
mydict = {"simulationcell" : check_cell,\
|
|
"particleset" : check_particleset }
|
|
|
|
def check (self, sys_elem, sim):
|
|
print 'checking qmcsystem element'
|
|
print 'lattice = ' + repr (sim.system.lattice)
|
|
for elem in sys_elem.childNodes:
|
|
if elem.nodeType == elem.ELEMENT_NODE:
|
|
n = elem.localName
|
|
print n
|
|
if (n in self.mydict):
|
|
self.mydict[n](self, elem)
|
|
|
|
|
|
|
|
|
|
def check_qmcsystem(sys_elem, sim):
|
|
sim.system.check (sys_elem, sim)
|
|
return
|