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(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(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( # 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') 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", # ) )