def read_test(self):
#test the read output function of macmiallle
mac = Macmaille('python_code/testdata/test1.hkl',1.541800, 0.0000, 0,'mac_test')
num1,num2 = mac.read_output('python_code/testdata/mcm_output.imp')
# are the shapes right?
assert num1.shape == (5,6)
assert num2.shape == (5,6)
def read_test(self):
#test the read output function of macmiallle
mac = Macmaille('python_code/testdata/test1.hkl', 1.541800, 0.0000, 0,
'mac_test')
num1, num2 = mac.read_output('python_code/testdata/mcm_output.imp')
# are the shapes right?
assert num1.shape == (5, 6)
assert num2.shape == (5, 6)
def write_test(self):
#Tests the full write functions of write input
mac = Macmaille('python_code/testdata/test1.hkl',1.541800, 0.0000, 0,'mac_test')
mac.writeinput('python_code/testdata/')
with open('python_code/testdata/'+mac.title+'.dat','r') as f:
with open('python_code/testdata/mac_input_test.txt','r') as g:
flines = f.readlines()
glines = g.readlines()
for l1,l2 in zip(flines,glines):
assert l1 == l2
g.close()
f.close()
def write_test(self):
#Tests the full write functions of write input
mac = Macmaille('python_code/testdata/test1.hkl', 1.541800, 0.0000, 0,
'mac_test')
mac.writeinput('python_code/testdata/')
with open('python_code/testdata/' + mac.title + '.dat', 'r') as f:
with open('python_code/testdata/mac_input_test.txt', 'r') as g:
flines = f.readlines()
glines = g.readlines()
for l1, l2 in zip(flines, glines):
assert l1 == l2
g.close()
f.close()
def write_test2(self):
# tests the write function with parameters added
mac = Macmaille('python_code/testdata/test1.hkl',1.541800, 0.0000, 0,'mac_test2')
key_chain = {'Symmetry codes':None,'W': None,'Nind':None,'Pmin':None, 'Pmax':None, 'Vmin':None, 'Vmax':None, 'Rmin':None, 'Rmax':None, 'Rmaxref':None,'Spar':None, 'Sang':None,'Ntests':None, 'Nruns':None}
for k in key_chain.iterkeys():
mac.set_keywords(k, 1)
mac.writeinput('python_code/testdata/')
with open('python_code/testdata/mac_input_test2.txt','r') as f:
with open('python_code/testdata/mac_test2.dat', 'r') as g:
flines = f.readlines()
glines = g.readlines()
for l1,l2 in zip(flines,glines):
assert l1 == l2
def write_test2(self):
# tests the write function with parameters added
mac = Macmaille('python_code/testdata/test1.hkl', 1.541800, 0.0000, 0,
'mac_test2')
key_chain = {
'Symmetry codes': None,
'W': None,
'Nind': None,
'Pmin': None,
'Pmax': None,
'Vmin': None,
'Vmax': None,
'Rmin': None,
'Rmax': None,
'Rmaxref': None,
'Spar': None,
'Sang': None,
'Ntests': None,
'Nruns': None
}
for k in key_chain.iterkeys():
mac.set_keywords(k, 1)
mac.writeinput('python_code/testdata/')
with open('python_code/testdata/mac_input_test2.txt', 'r') as f:
with open('python_code/testdata/mac_test2.dat', 'r') as g:
flines = f.readlines()
glines = g.readlines()
for l1, l2 in zip(flines, glines):
assert l1 == l2
def call_test(self):
#tests the call function at the moment this should return 1
mac = Macmaille('python_code/testdata/test1.hkl', 1.541800, 0.0000, 0,
'mac_test')
assert mac.call() == 1
def call_test(self):
#tests the call function at the moment this should return 1
mac = Macmaille('python_code/testdata/test1.hkl',1.541800, 0.0000, 0,'mac_test')
assert mac.call() == 1
