def test_form(self):
wlist = []
for i in range(4):
wlist.append(
ui.String(name='Name%s' % i,
description='',
value='Description of #%s' % i))
f = ui.Form(wlist, name='My Form')
assert f.disabled is False
for w in wlist:
assert w.disabled is False
f.disabled = True
assert f.disabled is True
for w in wlist:
assert w.disabled is True
f.disabled = False
assert f.disabled is False
for w in wlist:
assert w.disabled is False
value=PARADIM['USER'])
PARADIM_UI['s0']['folder'] = ui.String(description='Working folder',
name='Working folder',
value=GetInputFile())
PARADIM_UI['s0']['button'] = Button(description='Connect')
PARADIM_UI['s0']['button'].w = Box([PARADIM_UI['s0']['button']])
PARADIM_UI['s0']['status'] = ui.String(name='Status',
description='Status',
value='')
PARADIM_UI['s0']['status'].dd.layout = Layout(width='100%')
PARADIM_UI['s0']['status'].disabled = True
PARADIM_UI['s0']['display'] = ui.Form([
PARADIM_UI['s0']['user'],
PARADIM_UI['s0']['pwd'],
PARADIM_UI['s0']['code'],
PARADIM_UI['s0']['folder'],
PARADIM_UI['s0']['button'],
PARADIM_UI['s0']['status'],
],
name='MARCC Credentials')
''',PARADIM_UI['s0']['commands']'''
##################################################
# First
##################################################
PARADIM_UI['s1'] = {}
PARADIM_UI['s1']['ecutwfc'] = ui.String(name='ecutwfc',
description='ecutwfc',
value='40.0')
PARADIM_UI['s1']['kpoints'] = ui.Text(description="kpoints",
SCGI_UI['s0'] = {}
SCGI_UI['s0']['pwd'] = MyPassword('SCGI Password', SECRETS['PWD'])
SCGI_UI['s0']['code'] = MyPassword('Dual AUTH Code', SECRETS['CODE'])
SCGI_UI['s0']['user'] = ui.String('SCGI User name', SECRETS['USER'])
SCGI_UI['s0']['folder'] = ui.String(
'Working folder',
SECRETS['ID'] + "/" + SECRETS['USER'] + "/" + GetInputFile())
SCGI_UI['s0']['button'] = Button(description='Connect')
SCGI_UI['s0']['status'] = ui.String('Status', '')
SCGI_UI['s0']['status'].dd.layout = Layout(width='100%')
SCGI_UI['s0']['status'].disabled = True
SCGI_UI['s0']['display'] = ui.Form([
SCGI_UI['s0']['user'],
SCGI_UI['s0']['pwd'],
SCGI_UI['s0']['code'],
SCGI_UI['s0']['folder'],
HBox([SCGI_UI['s0']['button']]),
SCGI_UI['s0']['status'],
],
name='Credentials')
SCGI_UI['s_0'] = {}
SCGI_UI['s_0']['pwd1'] = MyPassword('TACC Password', SECRETS['PWD'])
SCGI_UI['s_0']['pwd2'] = MyPassword('PURDUE Password', SECRETS['PWD'])
SCGI_UI['s_0']['code'] = MyPassword('TACC AUTH Code', SECRETS['CODE'])
SCGI_UI['s_0']['user1'] = ui.String('TACC User name', SECRETS['USER'])
SCGI_UI['s_0']['user2'] = ui.String('PURDUE User name', SECRETS['USER'])
SCGI_UI['s_0']['folder1'] = ui.String(
'TACC Working folder',
SECRETS['ID'] + "/" + SECRETS['USER'] + "/" + GetInputFile())
SCGI_UI['s_0']['folder2'] = ui.String(
name='alpha1',
description="Longitudinal Thermal Expansion Coefficient",
min=10e-6,
max=100e-6,
value=1e-6
)
alpha2 = ui.Number(
name='alpha2',
description="Transverse Thermal Expansion Coefficient",
min=10e-6,
max=100e-6,
value=30e-6
)
material = ui.Form([e1, e2, nu12, g12, alpha1, alpha2], name='Material')
h0 = ui.Number(
name='h0',
description="Lamina Thickness",
units='m',
min=0,
max=10e-3,
value='0.2286 mm'
)
theta = ui.String(
name='theta',
description='Lamina Angle',
value='[45, -45, -45, 45]'
)
PARADIM_UI['s0']['folder'] = ui.String(description='Working folder',
name='Working folder',
value=PARADIM['TUTORIAL_NAME'])
PARADIM_UI['s0']['button'] = Button(description='Connect')
PARADIM_UI['s0']['button'].w = Box([PARADIM_UI['s0']['button']])
PARADIM_UI['s0']['status'] = ui.String(name='Status',
description='Status',
value='')
PARADIM_UI['s0']['status'].dd.layout = Layout(width='100%')
PARADIM_UI['s0']['status'].disabled = True
PARADIM_UI['s0']['display'] = ui.Form([
PARADIM_UI['s0']['user'],
PARADIM_UI['s0']['pwd'],
PARADIM_UI['s0']['code'],
PARADIM_UI['s0']['folder'],
PARADIM_UI['s0']['button'],
PARADIM_UI['s0']['status'],
],
name='MARCC Credentials')
##################################################
# First
##################################################
PARADIM_UI['s1'] = {}
PARADIM_UI['s1']['base_mat'] = {
'La3Ni2O7': {
"calculation":
"scf",
'prefix':
'La3Ni2O7',
])
PXTAL_UI["a2"] = VBox([PXTAL_UI["lmpdata_file"]])
PXTAL_UI["a"] = Accordion(children=[PXTAL_UI["a1"], PXTAL_UI["a2"]])
PXTAL_UI["a"].set_title(0, "Structure")
PXTAL_UI["a"].set_title(1, "Output")
PXTAL_UI["l1"] = VBox(
[PXTAL_UI["a"], PXTAL_UI["button"], PXTAL_UI["sim_progress"]])
PXTAL_UI["l2"] = Tab(children=[])
PXTAL_UI["bs"] = HBox([PXTAL_UI["l1"], PXTAL_UI["l2"]])
PXTAL_UI["l1"].layout = Layout(width="500px", border="1px")
PXTAL_UI["l2"].layout = Layout(width="100%", border="1px")
PXTAL_UI["bs"].layout = Layout(width="100%", border="1px")
PXTAL_UI["display"] = ui.Form([PXTAL_UI["bs"]],
name="PolymerXtal - Polymer Helix Chain Builder")
def fig_Structure(execution):
pdbFile = execution.read("PDBview", raw=True)
return imolecule.draw(pdbFile[7:])
# helix_name = execution.db.read('Helix Name')
# return imolecule.draw(execution.outdir + "/" + helix_name + ".pdb") #, camera_type="orthographic")
def fig_PDB(execution):
pdbFile = execution.read("PDB", raw=True)
out_data = ""
with open(pdbFile[7:], "r") as input_text:
out_data = input_text.read()
out_fig = Textarea(value=out_data)
max=500,
value=5.86)
alpha1 = ui.Number(name='alpha1',
description="Longitudinal Thermal Expansion Coefficient",
min=10e-6,
max=100e-6,
value=1e-6)
alpha2 = ui.Number(name='alpha2',
description="Transverse Thermal Expansion Coefficient",
min=10e-6,
max=100e-6,
value=30e-6)
material = ui.Form([e1, e2, nu12, g12, alpha1, alpha2], name='Material')
h0 = ui.Number(name='h0',
description="Lamina Thickness",
units='m',
min=0,
max=10e-3,
value='0.2286 mm')
theta = ui.String(name='theta',
description='Lamina Angle',
value='[45, -45, -45, 45]')
layup = ui.Form([h0, theta], name='Layup')
nx = ui.Number(name='Nx',