def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(Dock6Form, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="dock6")
self.fields['mpi_cluster'] = MPIModelChoiceField(queryset=get_mpi_queryset_for_task_submission(self.user), label="MPI Cluster",
toolset=toolset,
help_text="Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first.".format(
reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
self.helper.layout = Layout( # crispy_forms layout
Field('mpi_cluster', wrapper_class='col-xs-12'),
Fieldset(
'Input parameters',
Field('param_input_file', wrapper_class='col-xs-12'),
Field('param_other_files', wrapper_class='col-xs-12 col-md-8'),
css_class='col-xs-12'
),
Fieldset(
'Output parameters',
AppendedText('param_output_prefix', '.out', wrapper_class='col-xs-12 col-md-8'),
css_class='col-xs-12'
),
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(Dock6Form, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="dock6")
self.fields['mpi_cluster'] = MPIModelChoiceField(queryset=get_mpi_queryset_for_task_submission(self.user), label="MPI Cluster",
toolset=toolset,
help_text="Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first.".format(
reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
self.helper.layout = Layout(
Field('mpi_cluster', wrapper_class='col-xs-12'),
Fieldset(
'Input parameters',
Field('param_input_file', wrapper_class='col-xs-12'),
Field('param_other_files', wrapper_class='col-xs-12 col-md-8'),
css_class='col-xs-12'
),
Fieldset(
'Output parameters',
AppendedText('param_output_prefix', '.out', wrapper_class='col-xs-12 col-md-8'),
css_class='col-xs-12'
),
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(SelectMPIFilesForm, self).__init__(*args, **kwargs)
# self.fields['mpi_cluster'].queryset = MPICluster.objects.filter(creator=self.user)
toolset = ToolSet.objects.get(p2ctool_name="ray")
self.fields['mpi_cluster'] = MPIModelChoiceField(queryset=get_mpi_queryset_for_task_submission(self.user), label="MPI Cluster",
toolset=toolset,
help_text="Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first.".format(
reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
# self.helper.form_id = 'id-rayForm'
# self.helper.form_class = 'use-tool-forms'
# self.helper.form_method = 'post'
# self.helper.form_action = ''
self.helper.layout = Layout( #crispy_forms layout
Field('mpi_cluster', wrapper_class='col-xs-12'),
Fieldset(
'MiniRanks',
Field('param_mini_ranks', wrapper_class='col-xs-12 col-sm-8'),
Field('param_bynode', wrapper_class='col-xs-12'),
css_class='col-xs-12'
),
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(Autogrid4Form, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="autodock")
self.fields['mpi_cluster'] = MPIModelChoiceField(
queryset=get_mpi_queryset_for_task_submission(self.user),
label="MPI Cluster",
toolset=toolset,
help_text=
"Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first."
.format(reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
self.helper.layout = Layout( # crispy_forms layout
TabHolder(
Tab(
'autogrid4',
# Div(
Field('mpi_cluster', wrapper_class='col-xs-12 col-md-8'),
Field('param_use_with_autodock',
wrapper_class='col-xs-12 col-md-3 col-md-offset-1'),
Fieldset('Input parameters',
Field('param_receptor_file',
wrapper_class='col-xs-12'),
Field('param_gpf_file',
wrapper_class='col-xs-12'),
css_class='col-xs-12'),
Fieldset('Output parameters',
AppendedText('param_glg_filename',
'.glg',
wrapper_class='col-xs-12 col-md-8'),
css_class='col-xs-12'),
Fieldset('Other parameters',
Field('param_d', wrapper_class='col-xs-12'),
css_class='col-xs-12'),
),
Tab(
'autodock4',
Fieldset('Input parameters',
Field('param_ligand_file',
wrapper_class='col-xs-12'),
Field('param_dpf_file',
wrapper_class='col-xs-12'),
css_class='col-xs-12'),
Fieldset('Output parameters',
AppendedText('param_dlg_filename',
'.dlg',
wrapper_class='col-xs-12 col-md-8'),
css_class='col-xs-12'),
Fieldset('Other parameters',
Field('param_k', wrapper_class='col-xs-12'),
Field('param_i', wrapper_class='col-xs-12'),
Field('param_t', wrapper_class='col-xs-12'),
Field('param_d_dock', wrapper_class='col-xs-12'),
css_class='col-xs-12'),
)))
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user') # get user from form kwargs
super(SelectMPIFilesForm, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="impi")
self.fields['mpi_cluster'] = MPIModelChoiceField(queryset=get_mpi_queryset_for_task_submission(self.user), label="MPI Cluster",
toolset=toolset,
help_text="Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first.".format(
reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
self.helper.layout = Layout( # crispy_forms layout
Field('mpi_cluster', wrapper_class="col-xs-12"),
Field('input_files', wrapper_class="col-xs-12"),
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(VinaSplitForm, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="vina")
self.fields['mpi_cluster'] = MPIModelChoiceField(queryset=get_mpi_queryset_for_task_submission(self.user), label="MPI Cluster",
toolset=toolset,
help_text="Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first.".format(
reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
self.helper.layout = Layout(
'mpi_cluster',
'param_input',
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(SelectMPIFilesForm, self).__init__(*args, **kwargs)
# self.fields['mpi_cluster'].queryset = MPICluster.objects.filter(creator=self.user)
toolset = ToolSet.objects.get(p2ctool_name="espresso")
self.fields['mpi_cluster'] = MPIModelChoiceField(
queryset=get_mpi_queryset_for_task_submission(self.user),
label="MPI Cluster",
toolset=toolset,
help_text=
"Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first."
.format(reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
self.helper.layout = Layout( # crispy_forms layout
'mpi_cluster', 'param_pseudopotentials')
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(VinaSplitForm, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="vina")
self.fields['mpi_cluster'] = MPIModelChoiceField(
queryset=get_mpi_queryset_for_task_submission(self.user),
label="MPI Cluster",
toolset=toolset,
help_text=
"Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first."
.format(reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
self.helper.layout = Layout( #crispy_form layout
'mpi_cluster',
'param_input',
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(GamessForm, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="gamess")
self.fields['mpi_cluster'] = MPIModelChoiceField(queryset=get_mpi_queryset_for_task_submission(self.user), label="MPI Cluster",
toolset=toolset,
help_text="Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first.".format(
reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_id = 'id-impiForm'
self.helper.form_class = 'use-tool-forms'
self.helper.form_method = 'post'
self.helper.form_action = ''
self.helper.layout = Layout(
Field('mpi_cluster', wrapper_class="col-xs-12"),
Field('input_files', wrapper_class="col-xs-12"),
HTML('<input name="submit" value="Submit task" type="submit" class="btn btn-primary btn-block">')
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(GamessForm, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="gamess")
self.fields['mpi_cluster'] = MPIModelChoiceField(queryset=get_mpi_queryset_for_task_submission(self.user), label="MPI Cluster",
toolset=toolset,
help_text="Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first.".format(
reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_id = 'id-impiForm'
self.helper.form_class = 'use-tool-forms'
self.helper.form_method = 'post'
self.helper.form_action = ''
self.helper.layout = Layout( # crispy_forms layout
Field('mpi_cluster', wrapper_class="col-xs-12"),
Field('input_files', wrapper_class="col-xs-12"),
HTML('<input name="submit" value="Submit task" type="submit" class="btn btn-primary btn-block">')
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user') # get user from form kwargs
super(SelectMPIFilesForm, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="impi")
self.fields['mpi_cluster'] = MPIModelChoiceField(queryset=get_mpi_queryset_for_task_submission(self.user), label="MPI Cluster",
toolset=toolset,
help_text="Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first.".format(
reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
# self.helper.form_id = 'id-rayForm'
# self.helper.form_class = 'use-tool-forms'
# self.helper.form_method = 'post'
# self.helper.form_action = ''
self.helper.layout = Layout( # crispy_forms layout
Field('mpi_cluster', wrapper_class="col-xs-12"),
Field('input_files', wrapper_class="col-xs-12"),
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop("user")
super(SelectMPIFilesForm, self).__init__(*args, **kwargs)
# self.fields['mpi_cluster'].queryset = MPICluster.objects.filter(creator=self.user)
toolset = ToolSet.objects.get(p2ctool_name="espresso")
self.fields["mpi_cluster"] = MPIModelChoiceField(
queryset=get_mpi_queryset_for_task_submission(self.user),
label="MPI Cluster",
toolset=toolset,
help_text="Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first.".format(
reverse("create_mpi")
),
)
self.helper = FormHelper()
self.helper.form_tag = False
# self.helper.form_id = 'id-rayForm'
# self.helper.form_class = 'use-tool-forms'
# self.helper.form_method = 'post'
# self.helper.form_action = ''
self.helper.layout = Layout("mpi_cluster", "param_pseudopotentials") # crispy_forms layout
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(SelectMPIFilesForm, self).__init__(*args, **kwargs)
# self.fields['mpi_cluster'].queryset = MPICluster.objects.filter(creator=self.user)
toolset = ToolSet.objects.get(p2ctool_name="ray")
self.fields['mpi_cluster'] = MPIModelChoiceField(
queryset=get_mpi_queryset_for_task_submission(self.user),
label="MPI Cluster",
toolset=toolset,
help_text=
"Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first."
.format(reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
self.helper.layout = Layout( #crispy_forms layout
Field('mpi_cluster', wrapper_class='col-xs-12'),
Fieldset('MiniRanks',
Field('param_mini_ranks',
wrapper_class='col-xs-12 col-sm-8'),
Field('param_bynode', wrapper_class='col-xs-12'),
css_class='col-xs-12'),
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(VinaForm, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="vina")
self.fields['mpi_cluster'] = MPIModelChoiceField(
queryset=get_mpi_queryset_for_task_submission(self.user),
label="MPI Cluster",
toolset=toolset,
help_text=
"Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first."
.format(reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
self.helper.layout = Layout( # crispy_forms layout
# TabHolder(
# Tab('Basic Parameters',
Field('mpi_cluster', wrapper_class='col-xs-12'),
Fieldset('Input',
Field('param_receptor', wrapper_class='col-xs-12'),
Field('param_ligands',
wrapper_class='col-xs-12 col-md-8'),
Field('param_flex', wrapper_class='col-xs-12'),
css_class='col-xs-12'),
Fieldset('Search space',
Field('param_center_x',
wrapper_class='col-xs-12 col-md-4'),
Field('param_center_y',
wrapper_class='col-xs-12 col-md-4'),
Field('param_center_z',
wrapper_class='col-xs-12 col-md-4'),
Field('param_size_x', wrapper_class='col-xs-12 col-md-4'),
Field('param_size_y', wrapper_class='col-xs-12 col-md-4'),
Field('param_size_z', wrapper_class='col-xs-12 col-md-4'),
css_class='col-xs-12'),
Fieldset('Miscellaneous',
Field('param_seed', wrapper_class="col-xs-12 col-md-8"),
Field('param_exhaustiveness',
wrapper_class="col-xs-12 col-md-8"),
Field('param_num_modes',
wrapper_class="col-xs-12 col-md-8"),
Field('param_energy_range',
wrapper_class="col-xs-12 col-md-8"),
css_class='col-xs-12'),
# ),
# disabled these features since in vina website : AutoDock Vina's "advanced options"
# are intended to be primarily used by people interested in methods development rather than the end users.
# Tab('Advanced Parameters',
# Fieldset(
# 'Experimental options',
# Div('param_score_only', css_class='col-xs-12'),
# Div('param_local_only', css_class='col-xs-12'),
# Div('param_randomize_only', css_class='col-xs-12'),
# ),
# Fieldset(
# 'Weights',
# Div(
# Field('param_weight_gauss1', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# Div(
# Field('param_weight_gauss2', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# Div(
# Field('param_weight_repulsion', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# Div(
# Field('param_weight_hydrophobic', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# Div(
# Field('param_weight_hydrogen', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# Div(
# Field('param_weight_rot', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# ),
#
# css_class='row-fluid col-sm-12'
# ),
# css_id="form-tab-holder",
# )
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(Autogrid4Form, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="autodock")
self.fields['mpi_cluster'] = MPIModelChoiceField(queryset=get_mpi_queryset_for_task_submission(self.user), label="MPI Cluster",
toolset=toolset,
help_text="Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first.".format(
reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
self.helper.layout = Layout(
TabHolder(
Tab(
'autogrid4',
# Div(
Field('mpi_cluster', wrapper_class='col-xs-12 col-md-8'),
Field('param_use_with_autodock', wrapper_class='col-xs-12 col-md-3 col-md-offset-1'),
Fieldset(
'Input parameters',
Field('param_receptor_file', wrapper_class='col-xs-12'),
Field('param_gpf_file', wrapper_class='col-xs-12'),
css_class='col-xs-12'
),
Fieldset(
'Output parameters',
AppendedText('param_glg_filename', '.glg', wrapper_class='col-xs-12 col-md-8'),
css_class='col-xs-12'
),
Fieldset(
'Other parameters',
Field('param_d', wrapper_class='col-xs-12'),
css_class='col-xs-12'
),
),
Tab(
'autodock4',
Fieldset(
'Input parameters',
Field('param_ligand_file', wrapper_class='col-xs-12'),
Field('param_dpf_file', wrapper_class='col-xs-12'),
css_class='col-xs-12'
),
Fieldset(
'Output parameters',
AppendedText('param_dlg_filename', '.dlg', wrapper_class='col-xs-12 col-md-8'),
css_class='col-xs-12'
),
Fieldset(
'Other parameters',
Field('param_k', wrapper_class='col-xs-12'),
Field('param_i', wrapper_class='col-xs-12'),
Field('param_t', wrapper_class='col-xs-12'),
Field('param_d_dock', wrapper_class='col-xs-12'),
css_class='col-xs-12'
),
)
)
)
def __init__(self, *args, **kwargs):
self.user = kwargs.pop('user')
super(VinaForm, self).__init__(*args, **kwargs)
toolset = ToolSet.objects.get(p2ctool_name="vina")
self.fields['mpi_cluster'] = MPIModelChoiceField(queryset=get_mpi_queryset_for_task_submission(self.user), label="MPI Cluster",
toolset=toolset,
help_text="Getting an empty list? Try <a href='{0}'>creating an MPI Cluster</a> first.".format(
reverse('create_mpi')))
self.helper = FormHelper()
self.helper.form_tag = False
self.helper.layout = Layout( # crispy_forms layout
# TabHolder(
# Tab('Basic Parameters',
Field('mpi_cluster', wrapper_class='col-xs-12'),
Fieldset(
'Input',
Field('param_receptor', wrapper_class='col-xs-12'),
Field('param_ligands', wrapper_class='col-xs-12 col-md-8'),
Field('param_flex', wrapper_class='col-xs-12'),
css_class='col-xs-12'
),
Fieldset(
'Search space',
Field('param_center_x', wrapper_class='col-xs-12 col-md-4'),
Field('param_center_y', wrapper_class='col-xs-12 col-md-4'),
Field('param_center_z', wrapper_class='col-xs-12 col-md-4'),
Field('param_size_x', wrapper_class='col-xs-12 col-md-4'),
Field('param_size_y', wrapper_class='col-xs-12 col-md-4'),
Field('param_size_z', wrapper_class='col-xs-12 col-md-4'),
css_class='col-xs-12'
),
Fieldset(
'Miscellaneous',
Field('param_seed', wrapper_class="col-xs-12 col-md-8"),
Field('param_exhaustiveness', wrapper_class="col-xs-12 col-md-8"),
Field('param_num_modes', wrapper_class="col-xs-12 col-md-8"),
Field('param_energy_range', wrapper_class="col-xs-12 col-md-8"),
css_class='col-xs-12'
),
# ),
# disabled these features since in vina website : AutoDock Vina's "advanced options"
# are intended to be primarily used by people interested in methods development rather than the end users.
# Tab('Advanced Parameters',
# Fieldset(
# 'Experimental options',
# Div('param_score_only', css_class='col-xs-12'),
# Div('param_local_only', css_class='col-xs-12'),
# Div('param_randomize_only', css_class='col-xs-12'),
# ),
# Fieldset(
# 'Weights',
# Div(
# Field('param_weight_gauss1', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# Div(
# Field('param_weight_gauss2', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# Div(
# Field('param_weight_repulsion', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# Div(
# Field('param_weight_hydrophobic', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# Div(
# Field('param_weight_hydrogen', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# Div(
# Field('param_weight_rot', wrapper_class='col-xs-10'),
# css_class='col-xs-6'
# ),
# ),
#
# css_class='row-fluid col-sm-12'
# ),
# css_id="form-tab-holder",
# )
)
