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Select from a given Table or Column with the specified WHERE clause string. Additional keywords are passed to ExploreSqlDB. query (). For convenience if there is no = > < like or LIKE clause in the WHERE statement. where () tries to match the input string against the primary key column of the Table.
def where(self, where_string, **kwargs): """ Select from a given Table or Column with the specified WHERE clause string. Additional keywords are passed to ExploreSqlDB.query(). For convenience, if there is no '=', '>', '<', 'like', or 'LIKE' clause in the WHERE statement .where()...
Execute a raw SQL query against the the SQL DB.
def query(self, sql_query, return_as="dataframe"): """ Execute a raw SQL query against the the SQL DB. Args: sql_query (str): A raw SQL query to execute. Kwargs: return_as (str): Specify what type of object should be returned. The following are accep...
Internal helper to set metadata attributes.
def _set_metadata(self): """ Internal helper to set metadata attributes. """ meta = QueryDbMeta() with self._engine.connect() as conn: meta.bind = conn meta.reflect() self._meta = meta # Set an inspect attribute, whose subattributes ...
Internal convert - to - DataFrame convenience wrapper.
def _to_df(self, query, conn, index_col=None, coerce_float=True, params=None, parse_dates=None, columns=None): """ Internal convert-to-DataFrame convenience wrapper. """ return pd.io.sql.read_sql(str(query), conn, index_col=index_col, coer...
The disaggregation function for temperature
def disaggregate_temperature(data_daily, method='sine_min_max', min_max_time='fix', mod_nighttime=False, max_delta=None, mean_course=None, sun_tim...
function to get max temp shift ( monthly ) by hourly data Parameters ---- hourly_data_obs: observed hourly data lat: latitude in DezDeg lon: longitude in DezDeg time_zone: timezone
def get_shift_by_data(temp_hourly, lon, lat, time_zone): '''function to get max temp shift (monthly) by hourly data Parameters ---- hourly_data_obs : observed hourly data lat : latitude in DezDeg lon : longitude in DezDeg time_zone: timezone ''' d...
Obtains hourly values by equally distributing the daily values.
def distribute_equally(daily_data, divide=False): """Obtains hourly values by equally distributing the daily values. Args: daily_data: daily values divide: if True, divide resulting values by the number of hours in order to preserve the daily sum (required e.g. for precipitation). ...
Calculates vapor pressure from temperature and humidity after Sonntag ( 1990 ).
def vapor_pressure(temp, hum): """ Calculates vapor pressure from temperature and humidity after Sonntag (1990). Args: temp: temperature values hum: humidity value(s). Can be scalar (e.g. for calculating saturation vapor pressure). Returns: Vapor pressure in hPa. """ i...
computes the dewpoint temperature
def dewpoint_temperature(temp, hum): """computes the dewpoint temperature Parameters ---- temp : temperature [K] hum : relative humidity Returns dewpoint temperature in K """ assert(temp.shape == hum.shape) vap_press = vapor_pressure(temp, hum) positiv...
linear regression calculation
def linregress(x, y, return_stats=False): """linear regression calculation Parameters ---- x : independent variable (series) y : dependent variable (series) return_stats : returns statistical values as well if required (bool) Returns ---- list of parameters (an...
Computes the times of sunrise solar noon and sunset for each day.
def get_sun_times(dates, lon, lat, time_zone): """Computes the times of sunrise, solar noon, and sunset for each day. Parameters ---- dates: datetime lat : latitude in DecDeg lon : longitude in DecDeg time_zone : timezone Returns ---- DataFrame: [sunrise,...
checks if a given dataframe contains gaps and returns the number of gaps
def detect_gaps(dataframe, timestep, print_all=False, print_max=5, verbose=True): """checks if a given dataframe contains gaps and returns the number of gaps This funtion checks if a dataframe contains any gaps for a given temporal resolution that needs to be specified in seconds. The number of gaps de...
truncates a given dataframe to full days only
def drop_incomplete_days(dataframe, shift=0): """truncates a given dataframe to full days only This funtion truncates a given pandas dataframe (time series) to full days only, thus dropping leading and tailing hours of incomplete days. Please note that this methodology only applies to hourly time serie...
Aggregates data ( hourly to daily values ) according to the characteristics of each variable ( e. g. average for temperature sum for precipitation )
def daily_from_hourly(df): """Aggregates data (hourly to daily values) according to the characteristics of each variable (e.g., average for temperature, sum for precipitation) Args: df: dataframe including time series with one hour time steps Returns: dataframe (daily) """ df_...
The disaggregation function for precipitation.
def disagg_prec(dailyData, method='equal', cascade_options=None, hourly_data_obs=None, zerodiv="uniform", shift=0): """The disaggregation function for precipitation. Parameters ---------- dailyData : pd.Series daily...
Precipitation disaggregation with cascade model ( Olsson 1998 )
def disagg_prec_cascade(precip_daily, cascade_options, hourly=True,level=9, shift=0, test=False): """Precipitation disaggregation with cascade model (Olsson, 1998) Parameters ---------- precip_daily : pd.Series daily data ...
Disaggregate precipitation based on the patterns of a master station
def precip_master_station(precip_daily, master_precip_hourly, zerodiv): """Disaggregate precipitation based on the patterns of a master station Parameters ----------- precip_daily : pd.Series daily data master_precip_hourly : pd.Series ...
Aggregates highly resolved precipitation data and creates statistics
def aggregate_precipitation(vec_data,hourly=True, percentile=50): """Aggregates highly resolved precipitation data and creates statistics Parameters ---------- vec_data : pd.Series hourly (hourly=True) OR 5-min values Returns ------- output : cascade object representing st...
Get the seasonal data.
def seasonal_subset(dataframe, months='all'): '''Get the seasonal data. Parameters ---------- dataframe : pd.DataFrame months: int, str Months to use for statistics, or 'all' for 1-12 (default='all') ''' if isinstance(months, str) and months == 'all': mo...
Builds the cascade statistics of observed data for disaggregation
def build_casc(ObsData, hourly=True,level=9, months=None, avg_stats=True, percentile=50): '''Builds the cascade statistics of observed data for disaggregation Parameters ----------- ObsData : pd.Series hourly=True -> hourly obs data else -> 5...
This function fills the corresponding object with sample data.
def fill_with_sample_data(self): """This function fills the corresponding object with sample data.""" # replace these sample data with another dataset later # this function is deprecated as soon as a common file format for this # type of data will be available self.p01 = np.array...
A list of all emoji names without file extension.
def names(cls): """A list of all emoji names without file extension.""" if not cls._files: for f in os.listdir(cls._image_path): if(not f.startswith('.') and os.path.isfile(os.path.join(cls._image_path, f))): cls._files.append(os.path.sp...
Add in valid emojis in a string where a valid emoji is between::
def replace(cls, replacement_string): """Add in valid emojis in a string where a valid emoji is between ::""" e = cls() def _replace_emoji(match): val = match.group(1) if val in e: return e._image_string(match.group(1)) else: r...
This method will iterate over every character in replacement_string and see if it mathces any of the unicode codepoints that we recognize. If it does then it will replace that codepoint with an image just like replace.
def replace_unicode(cls, replacement_string): """This method will iterate over every character in ``replacement_string`` and see if it mathces any of the unicode codepoints that we recognize. If it does then it will replace that codepoint with an image just like ``replace``. NOT...
Replaces HTML escaped unicode entities with their unicode equivalent. If the setting EMOJI_REPLACE_HTML_ENTITIES is True then this conversation will always be done in replace_unicode ( default: True ).
def replace_html_entities(cls, replacement_string): """Replaces HTML escaped unicode entities with their unicode equivalent. If the setting `EMOJI_REPLACE_HTML_ENTITIES` is `True` then this conversation will always be done in `replace_unicode` (default: True). """ def _h...
This method should work with both Python 2 and 3 with the caveat that they need to be compiled with wide unicode character support.
def _convert_to_unicode(string): """This method should work with both Python 2 and 3 with the caveat that they need to be compiled with wide unicode character support. If there isn't wide unicode character support it'll blow up with a warning. """ codepoints = [] for character in string.sp...
remove file and remove it s directories if empty
def _delete_file(configurator, path): """ remove file and remove it's directories if empty """ path = os.path.join(configurator.target_directory, path) os.remove(path) try: os.removedirs(os.path.dirname(path)) except OSError: pass
Insert an item in the list of an existing manifest key
def _insert_manifest_item(configurator, key, item): """ Insert an item in the list of an existing manifest key """ with _open_manifest(configurator) as f: manifest = f.read() if item in ast.literal_eval(manifest).get(key, []): return pattern = """(["']{}["']:\\s*\\[)""".format(key) r...
Parses a file for pip installation requirements.
def _read_requirements(filename): """Parses a file for pip installation requirements.""" with open(filename) as requirements_file: contents = requirements_file.read() return [line.strip() for line in contents.splitlines() if _is_requirement(line)]
Assigns a permission to a group
def assign_perm(perm, group): """ Assigns a permission to a group """ if not isinstance(perm, Permission): try: app_label, codename = perm.split('.', 1) except ValueError: raise ValueError("For global permissions, first argument must be in" ...
Removes a permission from a group
def remove_perm(perm, group): """ Removes a permission from a group """ if not isinstance(perm, Permission): try: app_label, codename = perm.split('.', 1) except ValueError: raise ValueError("For global permissions, first argument must be in" ...
Returns the class to use for the passed in list. We just build something up from the object type for the list.
def get_list_class(context, list): """ Returns the class to use for the passed in list. We just build something up from the object type for the list. """ return "list_%s_%s" % (list.model._meta.app_label, list.model._meta.model_name)
Formats a date converting the time to the user timezone if one is specified
def format_datetime(time): """ Formats a date, converting the time to the user timezone if one is specified """ user_time_zone = timezone.get_current_timezone() if time.tzinfo is None: time = time.replace(tzinfo=pytz.utc) user_time_zone = pytz.timezone(getattr(settings, 'USER_TIME_ZO...
Responsible for deriving the displayed value for the passed in field.
def get_value_from_view(context, field): """ Responsible for deriving the displayed value for the passed in 'field'. This first checks for a particular method on the ListView, then looks for a method on the object, then finally treats it as an attribute. """ view = context['view'] obj = Non...
Looks up the class for this field
def get_class(context, field, obj=None): """ Looks up the class for this field """ view = context['view'] return view.lookup_field_class(field, obj, "field_" + field)
Responsible for figuring out the right label for the passed in field.
def get_label(context, field, obj=None): """ Responsible for figuring out the right label for the passed in field. The order of precedence is: 1) if the view has a field_config and a label specified there, use that label 2) check for a form in the view, if it contains that field, use it's val...
Determine what the field link should be for the given field object pair
def get_field_link(context, field, obj=None): """ Determine what the field link should be for the given field, object pair """ view = context['view'] return view.lookup_field_link(context, field, obj)
Gets the app after which smartmin permissions should be installed. This can be specified by PERMISSIONS_APP in the Django settings or defaults to the last app with models
def get_permissions_app_name(): """ Gets the app after which smartmin permissions should be installed. This can be specified by PERMISSIONS_APP in the Django settings or defaults to the last app with models """ global permissions_app_name if not permissions_app_name: permissions_app_nam...
Checks the the passed in role ( can be user group or AnonymousUser ) has all the passed in permissions granting them if necessary.
def check_role_permissions(role, permissions, current_permissions): """ Checks the the passed in role (can be user, group or AnonymousUser) has all the passed in permissions, granting them if necessary. """ role_permissions = [] # get all the current permissions, we'll remove these as we verif...
Checks that all the permissions specified in our settings. py are set for our groups.
def check_all_group_permissions(sender, **kwargs): """ Checks that all the permissions specified in our settings.py are set for our groups. """ if not is_permissions_app(sender): return config = getattr(settings, 'GROUP_PERMISSIONS', dict()) # for each of our items for name, permis...
Adds the passed in permission to that content type. Note that the permission passed in should be a single word or verb. The proper codename will be generated from that.
def add_permission(content_type, permission): """ Adds the passed in permission to that content type. Note that the permission passed in should be a single word, or verb. The proper 'codename' will be generated from that. """ # build our permission slug codename = "%s_%s" % (content_type.model...
This syncdb checks our PERMISSIONS setting in settings. py and makes sure all those permissions actually exit.
def check_all_permissions(sender, **kwargs): """ This syncdb checks our PERMISSIONS setting in settings.py and makes sure all those permissions actually exit. """ if not is_permissions_app(sender): return config = getattr(settings, 'PERMISSIONS', dict()) # for each of our items ...
Overloaded so we can save any new password that is included.
def save(self, commit=True): """ Overloaded so we can save any new password that is included. """ is_new_user = self.instance.pk is None user = super(UserForm, self).save(commit) # new users should be made active by default if is_new_user: user.is_ac...
URLs that start with @ are reversed using the passed in arguments.
def smart_url(url, obj=None): """ URLs that start with @ are reversed, using the passed in arguments. Otherwise a straight % substitution is applied. """ if url.find("@") >= 0: (args, value) = url.split('@') if args: val = getattr(obj, args, None) return rev...
Utility function called by class methods for single object views
def derive_single_object_url_pattern(slug_url_kwarg, path, action): """ Utility function called by class methods for single object views """ if slug_url_kwarg: return r'^%s/%s/(?P<%s>[^/]+)/$' % (path, action, slug_url_kwarg) else: return r'^%s/%s/(?P<pk>\d+)/$' % (path, action)
Figures out if the current user has permissions for this view.
def has_permission(self, request, *args, **kwargs): """ Figures out if the current user has permissions for this view. """ self.kwargs = kwargs self.args = args self.request = request if not getattr(self, 'permission', None): return True else:...
Overloaded to check permissions if appropriate
def dispatch(self, request, *args, **kwargs): """ Overloaded to check permissions if appropriate """ def wrapper(request, *args, **kwargs): if not self.has_permission(request, *args, **kwargs): path = urlquote(request.get_full_path()) login_url...
Looks for a field s value from the passed in obj. Note that this will strip leading attributes to deal with subelements if possible
def lookup_obj_attribute(self, obj, field): """ Looks for a field's value from the passed in obj. Note that this will strip leading attributes to deal with subelements if possible """ curr_field = field.encode('ascii', 'ignore').decode("utf-8") rest = None if fi...
Looks up the field value for the passed in object and field name.
def lookup_field_value(self, context, obj, field): """ Looks up the field value for the passed in object and field name. Note that this method is actually called from a template, but this provides a hook for subclasses to modify behavior if they wish to do so. This may be used ...
Figures out what the field label should be for the passed in field name.
def lookup_field_label(self, context, field, default=None): """ Figures out what the field label should be for the passed in field name. Our heuristic is as follows: 1) we check to see if our field_config has a label specified 2) if not, then we derive a field value from...
Looks up the help text for the passed in field.
def lookup_field_help(self, field, default=None): """ Looks up the help text for the passed in field. """ help = None # is there a label specified for this field if field in self.field_config and 'help' in self.field_config[field]: help = self.field_config[fi...
Looks up any additional class we should include when rendering this field
def lookup_field_class(self, field, obj=None, default=None): """ Looks up any additional class we should include when rendering this field """ css = "" # is there a class specified for this field if field in self.field_config and 'class' in self.field_config[field]: ...
Returns the name of the template to use to render this request.
def get_template_names(self): """ Returns the name of the template to use to render this request. Smartmin provides default templates as fallbacks, so appends it's own templates names to the end of whatever list is built by the generic views. Subclasses can override this by set...
Default implementation
def derive_fields(self): """ Default implementation """ fields = [] if self.fields: fields.append(self.fields) return fields
We supplement the normal context data by adding our fields and labels.
def get_context_data(self, **kwargs): """ We supplement the normal context data by adding our fields and labels. """ context = super(SmartView, self).get_context_data(**kwargs) # derive our field config self.field_config = self.derive_field_config() # add our fi...
Overloaded to deal with _format arguments.
def render_to_response(self, context, **response_kwargs): """ Overloaded to deal with _format arguments. """ # should we actually render in json? if '_format' in self.request.GET and self.request.GET['_format'] == 'json': return JsonResponse(self.as_json(context), saf...
Derives our fields. We first default to using our fields variable if available otherwise we figure it out from our object.
def derive_fields(self): """ Derives our fields. We first default to using our 'fields' variable if available, otherwise we figure it out from our object. """ if self.fields: return list(self.fields) else: fields = [] for field in sel...
Add in the field to use for the name field
def get_context_data(self, **kwargs): """ Add in the field to use for the name field """ context = super(SmartDeleteView, self).get_context_data(**kwargs) context['name_field'] = self.name_field context['cancel_url'] = self.get_cancel_url() return context
Derives our title from our list
def derive_title(self): """ Derives our title from our list """ title = super(SmartListView, self).derive_title() if not title: return force_text(self.model._meta.verbose_name_plural).title() else: return title
Used to derive which fields should be linked. This should return a set () containing the names of those fields which should be linkable.
def derive_link_fields(self, context): """ Used to derive which fields should be linked. This should return a set() containing the names of those fields which should be linkable. """ if self.link_fields is not None: return self.link_fields else: ...
Returns whether the passed in field is sortable or not by default all raw fields that is fields that are part of the model are sortable.
def lookup_field_orderable(self, field): """ Returns whether the passed in field is sortable or not, by default all 'raw' fields, that is fields that are part of the model are sortable. """ try: self.model._meta.get_field_by_name(field) return True ...
Add in what fields are linkable
def get_context_data(self, **kwargs): """ Add in what fields are linkable """ context = super(SmartListView, self).get_context_data(**kwargs) # our linkable fields self.link_fields = self.derive_link_fields(context) # stuff it all in our context context[...
Derives our queryset.
def derive_queryset(self, **kwargs): """ Derives our queryset. """ # get our parent queryset queryset = super(SmartListView, self).get_queryset(**kwargs) # apply any filtering search_fields = self.derive_search_fields() search_query = self.request.GET.get...
Gets our queryset. This takes care of filtering if there are any fields to filter by.
def get_queryset(self, **kwargs): """ Gets our queryset. This takes care of filtering if there are any fields to filter by. """ queryset = self.derive_queryset(**kwargs) return self.order_queryset(queryset)
Returns what field should be used for ordering ( using a prepended - to indicate descending sort ).
def derive_ordering(self): """ Returns what field should be used for ordering (using a prepended '-' to indicate descending sort). If the default order of the queryset should be used, returns None """ if '_order' in self.request.GET: return self.request.GET['_order']...
Orders the passed in queryset returning a new queryset in response. By default uses the _order query parameter.
def order_queryset(self, queryset): """ Orders the passed in queryset, returning a new queryset in response. By default uses the _order query parameter. """ order = self.derive_ordering() # if we get our order from the request # make sure it is a valid field in ...
Derives our fields.
def derive_fields(self): """ Derives our fields. """ if self.fields: return self.fields else: fields = [] for field in self.object_list.model._meta.fields: if field.name != 'id': fields.append(field.name) ...
Overloaded to deal with _format arguments.
def render_to_response(self, context, **response_kwargs): """ Overloaded to deal with _format arguments. """ # is this a select2 format response? if self.request.GET.get('_format', 'html') == 'select2': results = [] for obj in context['object_list']: ...
Returns an instance of the form to be used in this view.
def get_form(self): """ Returns an instance of the form to be used in this view. """ self.form = super(SmartFormMixin, self).get_form() fields = list(self.derive_fields()) # apply our field filtering on our form class exclude = self.derive_exclude() excl...
Allows views to customize their form fields. By default Smartmin replaces the plain textbox date input with it s own DatePicker implementation.
def customize_form_field(self, name, field): """ Allows views to customize their form fields. By default, Smartmin replaces the plain textbox date input with it's own DatePicker implementation. """ if isinstance(field, forms.fields.DateField) and isinstance(field.widget, forms.w...
Figures out what the field label should be for the passed in field name.
def lookup_field_label(self, context, field, default=None): """ Figures out what the field label should be for the passed in field name. We overload this so as to use our form to see if there is label set there. If so then we'll pass that as the default instead of having our parent der...
Looks up the help text for the passed in field.
def lookup_field_help(self, field, default=None): """ Looks up the help text for the passed in field. This is overloaded so that we can check whether our form has help text set explicitely. If so, we will pass this as the default to our parent function. """ default = No...
Figures out what fields should be readonly. We iterate our field_config to find all that have a readonly of true
def derive_readonly(self): """ Figures out what fields should be readonly. We iterate our field_config to find all that have a readonly of true """ readonly = list(self.readonly) for key, value in self.field_config.items(): if 'readonly' in value and value['r...
Derives our fields.
def derive_fields(self): """ Derives our fields. """ if self.fields is not None: fields = list(self.fields) else: form = self.form fields = [] for field in form: fields.append(field.name) # this is sligh...
Returns the form class to use in this view
def get_form_class(self): """ Returns the form class to use in this view """ if self.form_class: form_class = self.form_class else: if self.model is not None: # If a model has been explicitly provided, use it model = self.m...
Let s us specify any extra parameters we might want to call for our form factory.
def get_factory_kwargs(self): """ Let's us specify any extra parameters we might want to call for our form factory. These can include: 'form', 'fields', 'exclude' or 'formfield_callback' """ params = dict() exclude = self.derive_exclude() exclude += self.derive_...
By default we use the referer that was stuffed in our form when it was created
def get_success_url(self): """ By default we use the referer that was stuffed in our form when it was created """ if self.success_url: # if our smart url references an object, pass that in if self.success_url.find('@') > 0: return smart_url...
We override this using only those fields specified if they are specified.
def get_form_kwargs(self): """ We override this, using only those fields specified if they are specified. Otherwise we include all fields in a standard ModelForm. """ kwargs = super(SmartFormMixin, self).get_form_kwargs() kwargs['initial'] = self.derive_initial() ...
Derives our title from our object
def derive_title(self): """ Derives our title from our object """ if not self.title: return _("Create %s") % force_text(self.model._meta.verbose_name).title() else: return self.title
Returns the permission to use for the passed in action
def permission_for_action(self, action): """ Returns the permission to use for the passed in action """ return "%s.%s_%s" % (self.app_name.lower(), self.model_name.lower(), action)
Returns the template to use for the passed in action
def template_for_action(self, action): """ Returns the template to use for the passed in action """ return "%s/%s_%s.html" % (self.module_name.lower(), self.model_name.lower(), action)
Returns the reverse name for this action
def url_name_for_action(self, action): """ Returns the reverse name for this action """ return "%s.%s_%s" % (self.module_name.lower(), self.model_name.lower(), action)
Returns the appropriate view class for the passed in action
def view_for_action(self, action): """ Returns the appropriate view class for the passed in action """ # this turns replace_foo into ReplaceFoo and read into Read class_name = "".join([word.capitalize() for word in action.split("_")]) view = None # see if we have...
Returns the URL pattern for the passed in action.
def pattern_for_view(self, view, action): """ Returns the URL pattern for the passed in action. """ # if this view knows how to define a URL pattern, call that if getattr(view, 'derive_url_pattern', None): return view.derive_url_pattern(self.path, action) # o...
Creates the appropriate URLs for this object.
def as_urlpatterns(self): """ Creates the appropriate URLs for this object. """ urls = [] # for each of our actions for action in self.actions: view_class = self.view_for_action(action) view_pattern = self.pattern_for_view(view_class, action) ...
Loads all migrations in the order they would be applied to a clean database
def load_migrations(self): # pragma: no cover """ Loads all migrations in the order they would be applied to a clean database """ executor = MigrationExecutor(connection=None) # create the forwards plan Django would follow on an empty database plan = executor.migration_...
Extract SQL operations from the given migrations
def extract_operations(self, migrations): """ Extract SQL operations from the given migrations """ operations = [] for migration in migrations: for operation in migration.operations: if isinstance(operation, RunSQL): statements = s...
Removes redundant SQL operations - e. g. a CREATE X followed by a DROP X
def normalize_operations(self, operations): """ Removes redundant SQL operations - e.g. a CREATE X followed by a DROP X """ normalized = OrderedDict() for operation in operations: op_key = (operation.sql_type, operation.obj_name) # do we already have an ...
Splits the list of SQL operations by type and dumps these to separate files
def write_type_dumps(self, operations, preserve_order, output_dir): """ Splits the list of SQL operations by type and dumps these to separate files """ by_type = {SqlType.INDEX: [], SqlType.FUNCTION: [], SqlType.TRIGGER: []} for operation in operations: by_type[operat...
Returns this Widget rendered as HTML as a Unicode string.
def render(self, name, value, attrs=None, renderer=None): """ Returns this Widget rendered as HTML, as a Unicode string. The 'value' given is not guaranteed to be valid input, so subclass implementations should program defensively. """ html = '' html += '%s' % va...
Add the atomic data to the DataTransferInterface.: param data_api the data api from where to get the data: param data_setters the class to push the data to: param atom_nams the list of atom names for the group: param element_names the list of element names for this group: param atom_charges the list formal atomic charg...
def add_atom_data(data_api, data_setters, atom_names, element_names, atom_charges, group_atom_ind): """Add the atomic data to the DataTransferInterface. :param data_api the data api from where to get the data :param data_setters the class to push the data to :param atom_nams the list of atom names for t...
Add the bonds for this group.: param data_setters the class to push the data to: param bond_indices the indices of the atoms in the group that are bonded ( in pairs ): param bond_orders the orders of the bonds
def add_group_bonds(data_setters, bond_indices, bond_orders): """Add the bonds for this group. :param data_setters the class to push the data to :param bond_indices the indices of the atoms in the group that are bonded (in pairs) :param bond_orders the orders of the bonds""" for bond_index in ra...
Add the data for a whole group.: param data_api the data api from where to get the data: param data_setters the class to push the data to: param group_index the index for this group
def add_group(data_api, data_setters, group_index): """Add the data for a whole group. :param data_api the data api from where to get the data :param data_setters the class to push the data to :param group_index the index for this group""" group_type_ind = data_api.group_type_list[group_index] a...
Add the data for a whole chain.: param data_api the data api from where to get the data: param data_setters the class to push the data to: param chain_index the index for this chain
def add_chain_info(data_api, data_setters, chain_index): """Add the data for a whole chain. :param data_api the data api from where to get the data :param data_setters the class to push the data to :param chain_index the index for this chain""" chain_id = data_api.chain_id_list[chain_index] chai...
Add all the structural information.: param data_api the data api from where to get the data: param data_setters the class to push the data to
def add_atomic_information(data_api, data_setters): """Add all the structural information. :param data_api the data api from where to get the data :param data_setters the class to push the data to""" for model_chains in data_api.chains_per_model: data_setters.set_model_info(data_api.model_counte...
Generate the bioassembly data.: param data_api the interface to the decoded data: param struct_inflator the interface to put the data into the client object
def generate_bio_assembly(data_api, struct_inflator): """Generate the bioassembly data. :param data_api the interface to the decoded data :param struct_inflator the interface to put the data into the client object""" bioassembly_count = 0 for bioassembly in data_api.bio_assembly: bioassembly...
Generate inter group bonds. Bond indices are specified within the whole structure and start at 0.: param data_api the interface to the decoded data: param struct_inflator the interface to put the data into the client object
def add_inter_group_bonds(data_api, struct_inflator): """ Generate inter group bonds. Bond indices are specified within the whole structure and start at 0. :param data_api the interface to the decoded data :param struct_inflator the interface to put the data into the client object""" for i in range(len(d...
Add ancilliary header information to the structure.: param data_api the interface to the decoded data: param struct_inflator the interface to put the data into the client object
def add_header_info(data_api, struct_inflator): """ Add ancilliary header information to the structure. :param data_api the interface to the decoded data :param struct_inflator the interface to put the data into the client object """ struct_inflator.set_header_info(data_api.r_free, ...
Add the crystallographic data to the structure.: param data_api the interface to the decoded data: param struct_inflator the interface to put the data into the client object
def add_xtalographic_info(data_api, struct_inflator): """ Add the crystallographic data to the structure. :param data_api the interface to the decoded data :param struct_inflator the interface to put the data into the client object""" if data_api.unit_cell == None and data_api.space_group is not None: ...
Add the entity info to the structure.: param data_api the interface to the decoded data: param struct_inflator the interface to put the data into the client object
def add_entity_info( data_api, struct_inflator): """Add the entity info to the structure. :param data_api the interface to the decoded data :param struct_inflator the interface to put the data into the client object """ for entity in data_api.entity_list: struct_inflator.set_entity_info(enti...