Source code for ccpn.core.Data

# Licence, Reference and Credits
__copyright__ = "Copyright (C) CCPN project ( 2014 - $Date: 2016-07-18 06:32:18 +0100 (Mon, 18 Jul 2016) $"
__credits__ = "Wayne Boucher, Rasmus H Fogh, Simon P Skinner, Geerten W Vuister"
__license__ = ("CCPN license. See"
              "or ccpnmodel.ccpncore.memops.Credits.CcpnLicense for license text")
__reference__ = ("For publications, please use reference from"
                " or ccpnmodel.ccpncore.memops.Credits.CcpNmrReference")

# Last code modification:
__author__ = "$Author: rhfogh $"
__date__ = "$Date: 2016-07-18 06:32:18 +0100 (Mon, 18 Jul 2016) $"
__version__ = "$Revision: 9684 $"

# Start of code

from typing import Optional
import collections
from ccpnmodel.ccpncore.lib import Util as coreUtil
from ccpn.core.lib import Pid
from ccpnmodel.ccpncore.api.ccp.nmr.NmrConstraint import Data as ApiData
from ccpnmodel.ccpncore.api.ccp.nmr.NmrConstraint import Parameter as ApiParameter
from ccpn.core._implementation.AbstractWrapperObject import AbstractWrapperObject
from ccpn.core.Project import Project
from ccpn.core.DataSet import DataSet

[docs]class Data(AbstractWrapperObject): """Object storing links to the data structures (PeakLists, Spectra, StructureEnsembles etc.) connected to a given DataSet, and their associated calculation parameters.""" #: Short class name, for PID. shortClassName = 'DA' # Attribute it necessary as subclasses must use superclass className className = 'Data' _parentClass = DataSet #: Name of plural link to instances of class _pluralLinkName = 'data' #: List of child classes. _childClasses = [] # Qualified name of matching API class _apiClassQualifiedName = ApiData._metaclass.qualifiedName() # CCPN properties @property def _apiData(self) -> ApiData: """ CCPN Data object matching Data""" return self._wrappedData @property def _key(self) -> str: """id string - name""" # return return @property def name(self) -> str: """name of Data object, used in Pid and to identify the Data object. """ return @property def _parent(self) -> DataSet: """DataSet containing Data.""" return self._project._data2Obj[self._wrappedData.nmrConstraintStore] calculationStep = _parent @property def attachedObjectPid(self) -> Optional[str]: """Pid for attached object - used to calculate the attachedObject Remains unchanged also if the object pointed to is renamed or deleted, to preserve, as far as possible, the original data.""" return self._wrappedData.attachedObjectPid @attachedObjectPid.setter def attachedObjectPid(self, value:str): self._wrappedData.attachedObjectPid = value @property def attachedObject(self) -> Optional[AbstractWrapperObject]: """attached object - derived from self.attachedObjectPid. If no attached object matching attachedObjectPid can be found (object has been renamed, deleted, or teh attachedObjectPid is incorrect) this attriibute has the value None.""" ss = self._wrappedData.attachedObjectPid if ss: return self.getByPid(ss) else: return None @attachedObject.setter def attachedObject(self, value:str): if value: self._wrappedData.attachedObjectPid = else: self._wrappedData.attachedObjectPid = None @property def parameters(self) -> dict: """Keyword-value dictionary of parameters. NB the value is a copy - modifying it will not modify the actual data. Use the setParameter, deleteParameter, clearParameters, and updateParameters methods to modify the parameters. Dictionary alues can be anything that can be exported to JSON, including OrderedDict, numpy.ndarray, ccpn.util.Tensor, or pandas DataFrame, Series, or Panel""" return dict((, x.value) for x in self._wrappedData.parameters)
[docs] def setParameter(self, name:str, value): """Add name:value to parameters, overwriting existing entries""" apiData = self._wrappedData parameter = apiData.findFirstParameter(name=name) if parameter is None: apiData.newParameter(name=name, value=value) else: parameter.value = value
[docs] def deleteParameter(self, name:str): """Delete parameter named 'name'""" apiData = self._wrappedData parameter = apiData.findFirstParameter(name=name) if parameter is None: raise KeyError("No parameter named %s" % name) else: parameter.delete()
[docs] def clearParameters(self): """Delete all parameters""" for parameter in self._wrappedData.parameters: parameter.delete()
[docs] def updateParameters(self, value:dict): """Convenience routine, similar to dict.update(). Calls self.setParameter(key, value) for each key,value pair in the input.""" for key,val in value.items(): self.setParameter(key, val)
[docs] def rename(self, value:str): """Rename Data, changing its nmme and Pid""" oldName = undo = self._project._undo self._startFunctionCommandBlock('rename', value) if undo is not None: undo.increaseBlocking() try: if not value: raise ValueError("Data name must be set") elif Pid.altCharacter in value: raise ValueError("Character %s not allowed in" % Pid.altCharacter) else: coreUtil._resetParentLink(self._wrappedData, 'data', {'name':value}) self._finaliseAction('rename') self._finaliseAction('change') finally: self._project._appBase._endCommandBlock() if undo is not None: undo.decreaseBlocking() undo.newItem(self.rename, self.rename, undoArgs=(oldName,),redoArgs=(value,))
@classmethod def _getAllWrappedData(cls, parent:DataSet)-> list: """get wrappedData - all ConstraintList children of parent NmrConstraintStore""" return parent._wrappedData.sortedData()
# Connections to parents: def _newData(self:DataSet, name:str, attachedObjectPid:str=None, attachedObject:AbstractWrapperObject=None) -> Data: """Create new Data within DataSet""" defaults = {'attachedObjectPid':None} project = self.project if attachedObject is not None: if attachedObjectPid is None: attachedObjectPid = else: raise ValueError( "Either attachedObject or attachedObjectPid must be None - values were %s and %s" % (attachedObject, attachedObjectPid)) self._startFunctionCommandBlock('newData', name, values={'attachedObjectPid':attachedObjectPid}, defaults=defaults, parName='newData') try: obj = self._wrappedData.newData(name=name, attachedObjectPid=attachedObjectPid) finally: self._project._appBase._endCommandBlock() return project._data2Obj.get(obj) DataSet.newData = _newData del _newData # Notifiers: # Data change whenever a parameter is created, deleted, or changed Project._apiNotifiers.extend( ( ('_notifyRelatedApiObject', {'pathToObject':'data', 'action':'change'}, ApiParameter._metaclass.qualifiedName(), ''), ('_notifyRelatedApiObject', {'pathToObject':'data', 'action':'change'}, ApiParameter._metaclass.qualifiedName(), '__init__'), ('_notifyRelatedApiObject', {'pathToObject':'data', 'action':'change'}, ApiParameter._metaclass.qualifiedName(), 'delete'), ) )