Example #1
0
    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.Tab(wlist)

        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
    change = {
        'k_points': PARADIM_UI['s1']['kpoints'].value,
        'prefix': 'gaas',
        'calculation': 'scf',
        'crystal': 'crystal',
        'system_params': 'ecutwfc = ' + PARADIM_UI['s1']['ecutwfc'].value + ","
    }

    if event['type'] == 'change' and event['name'] == 'value' and event['new']:
        PARADIM_UI['s1']['input'].value = PARADIM[
            'PW_TEMPLATE'].safe_substitute(change)


PARADIM_UI['s1']['ecutwfc'].dd.observe(UpdateStep1)
PARADIM_UI['s1']['kpoints'].dd.observe(UpdateStep1)
PARADIM_UI['s1']['display'] = ui.Tab([s1_tab0, s1_tab1, s1_tab2, s1_tab3])
UpdateStep1({'type': 'change', 'name': 'value', 'new': 'new'})

##################################################
# Second
##################################################

PARADIM_UI['s2'] = {}

PARADIM_UI['s2']['nbnd'] = ui.String(name='nbnd',
                                     description='nbnd',
                                     value='8')
PARADIM_UI['s2']['ecutwfc'] = ui.String(name='ecutwfc',
                                        description='ecutwfc',
                                        value='40.0')
PARADIM_UI['s2']['kpoints'] = ui.Text(description="kpoints",
Example #3
0
PARADIM_UI['s1']['bc'] = HBox([
    PARADIM_UI['s1']['button'], PARADIM_UI['s1']['job_id'],
    PARADIM_UI['s1']['status']
])
for mat, param in PARADIM_UI['s1']['base_mat'].items():
    PARADIM_UI['s1']['input_' + mat] = ui.Text(description="O.in",
                                               name="O.in",
                                               value='''''')
    PARADIM_UI['s1']['input_' + mat].dd.layout = Layout(width='99%',
                                                        height='150px')
    PARADIM_UI['s1']['input_' + mat].disabled = True
    PARADIM_UI['s1']['l2_' + mat] = ui.Form(
        [PARADIM_UI['s1']['input_' + mat].dd], name=mat + '.in')

PARADIM_UI['s1']['l2'] = ui.Tab([
    PARADIM_UI['s1']['l2_' + mat]
    for mat, params in PARADIM_UI['s1']['base_mat'].items()
])

PARADIM_UI['s1']['bs'] = VBox([
    PARADIM_UI['s1']['l2'],
    PARADIM_UI['s1']['bc'],
    PARADIM_UI['s1']['commands'].dd,
])
PARADIM_UI['s1']['bs'].w = Box([PARADIM_UI['s1']['bs']])
PARADIM_UI['s1']['l2'].layout = Layout(width='99%', border='1px')
PARADIM_UI['s1']['bs'].layout = Layout(width='100%', border='1px')

s1_tab0 = ui.Form([PARADIM_UI['s1']['bs']], name='Crystal Inputs')
s1_tab1 = ui.Form([PARADIM_UI['s1']['stdin']], name='stdin')
s1_tab2 = ui.Form([PARADIM_UI['s1']['stdout']], name='stdout')
s1_tab3 = ui.Form([PARADIM_UI['s1']['stderr']], name='stderr')
Example #4
0
    global SCGI_UI, SCGI
    change = {
        'k_points': SCGI_UI['s1']['kpoints'].value,
        'prefix': 'gaas',
        'calculation': 'scf',
        'crystal': 'crystal',
        'system_params': 'ecutwfc = ' + SCGI_UI['s1']['ecutwfc'].value + ","
    }

    if event['type'] == 'change' and event['name'] == 'value' and event['new']:
        SCGI_UI['s1']['input'].value = TemplatePW().safe_substitute(change)


SCGI_UI['s1']['ecutwfc'].dd.observe(UpdateStep1)
SCGI_UI['s1']['kpoints'].dd.observe(UpdateStep1)
SCGI_UI['s1']['display'] = ui.Tab([s1_tab0, s1_tab1, s1_tab2, s1_tab3])
UpdateStep1({'type': 'change', 'name': 'value', 'new': 'new'})

##################################################
# Second
##################################################

SCGI_UI['s2'] = {}

SCGI_UI['s2']['nbnd'] = ui.String('nbnd', '8')
SCGI_UI['s2']['ecutwfc'] = ui.String('ecutwfc', '40.0')
SCGI_UI['s2']['kpoints'] = ui.Text(name="kpoints",
                                   value='''tpiba_b
3
0.500 0.500 0.500 20
0.000 0.000 0.000 20
Example #5
0
               units='N',
               min=-10000,
               max=10000,
               value=0)

mxy = ui.Number(name='Mxy',
                description="Applied Twisting Moment",
                units='N',
                min=-10000,
                max=10000,
                value=0)

ti = ui.Number(
    name='Ti',
    description='Initial Temperature',
    units='degC',  # Beware: 'C' is coulombs!
    min=-273.15,
    max=500,
    value=0)

tf = ui.Number(name='Tf',
               description='Final Temperature',
               units='degC',
               min=-273.15,
               max=500,
               value=0)

loading = ui.Form([nx, ny, nxy, mx, my, mxy, ti, tf], name='Loading')

complam_menu = ui.Tab([material, layup, loading])