import CCP4Data,CCP4File
#import CCP4ModelData
#import CCP4ErrorHandling

# -----------------------------------------------------------------------------------

class CRefmacRestraintsDataFile(CCP4File.CDataFile):
  QUALIFIERS = { 'fileLabel' : 'restraints',
                 'mimeTypeName' : 'application/refmac-external-restraints',
                 'mimeTypeDescription' : 'Refmac external restraints',
                 'guiLabel' : 'Additional restraints',
                 'fileExtensions' : ['txt'],
                 'fileContentClassName' : NotImplemented }
  

class CRefmacRigidGroupSegment(CCP4Data.CData):
  CONTENTS = { 'chain_id' : { 'class' : CCP4Data.CString, 'qualifiers' : {
                  'charWidth': 1, 'allowUndefined' : False, 'mustExist': True} },
               'residue_1' : { 'class' : CCP4Data.CInt, 'qualifiers' : { 'mustExist': True, 'allowUndefined': False } },
               'residue_2' :  { 'class' : CCP4Data.CInt, 'qualifiers' : { 'mustExist': True, 'allowUndefined': False } }
               }
  CONTENTS_ORDER = [ 'chain_id', 'residue_1', 'residue_2' ]

  ERROR_CODES = { 101 : { 'description' : 'No sequence identity or structure RMS to target set' } }

  def getTableTextItems(self):
      items = []
      if self.chain_id.isSet():
        items.append(self.chain_id.__str__())
      else:
        items.append('--')
      for key in ['residue_1', 'residue_2']:
        if self.__dict__['_value'][key].isSet():
          items.append( self.__dict__['_value'][key].__str__())
        else:
          items.append('')
      return items

# def validity(self,arg):
#   err = CCP4ErrorHandling.CErrorReport()
#   err.extend(self.chain_id.validity(self.chain_id.get()))
#   if not self.residue_1.isSet() and not self.residue_2.isSet():
#     err.append(self.__class__,101,name=self.objectPath())
#   else:
#     err.extend(self.residue_1.validity(self.residue_1.get()))
#     err.extend(self.residue_2.validity(self.residue_2.get()))
#   print 'CRefmacRigidGroupSegment.validity',err.report()
#   return err


class CRefmacRigidGroupItem(CCP4Data.CData):
  CONTENTS = { 'rigid_group_id' : { 'class' :  CCP4Data.CString },
               'segmentList' : { 'class' :  CCP4Data.CList, 'subItem' : { 'class' : CRefmacRigidGroupSegment } ,
                   'qualifiers' : { 'listMinLength' : 1 } } }

  def getTextItem(self):
    return str(self.rigid_group_id)


class CRefmacRigidGroupList(CCP4Data.CList):
  SUBITEM = { 'class' : CRefmacRigidGroupItem }

  def addItem(self,value={},index=-1):
    obj = CCP4Data.CList.addItem(self,value=NotImplemented,index=index)
    if index<0:
      name = 'Rigid group ' + str(self.__len__())
    else:
      name = 'Rigid group ' + str(index+1)

    while not self.isUniqueName(name):
      name = name + 'x'
    obj.rigid_group_id = name
    return obj

  def isUniqueName(self,name):
    for item in self.__dict__['_value']:
      if item.rigid_group_id == name:
        return False
    return True

# -----------------------------------------------------------------------------------

class CRefmacAnomalousAtom(CCP4Data.CData):

  CONTENTS = {
      'atomType': {
          'class': CCP4Data.CString,
          'qualifiers': {
              'charWidth': 5,
#             'mustExist': True,
#             'allowUndefined': False,
#             'onlyEnumerators': False,
#             'default': 'Se',
              'toolTip': 'Element name as in PDB file'
           }
      },
      'Fp': {
          'class': CCP4Data.CFloat,
          'qualifiers' : {
#             'mustExist': True,
#             'allowUndefined': False,
              'toolTip' : "Form factor f' for element at given wavelength"
          }
      },
      'Fpp': {
          'class': CCP4Data.CFloat,
          'qualifiers': {
#             'mustExist': True,
#             'allowUndefined': False,
              'toolTip' : "Form factor f'' for element at given wavelength"
          }
      }
  }

  def getTextItem(self):
    model = getattr( self, '_value', None )

    atomType = '  --  '
    item = model['atomType']
    if item.isSet() :
       value = getattr( item, '_value', None )
       if value :
          atomType = "%6s" %( value )

    Fp = '  --  '
    item = model['Fp']
    if item.isSet() :
       value = getattr( item, '_value', None )
       if value :
          Fp = "%6.3f" %( value )

    Fpp = '  --  '
    item = model['Fpp']
    if item.isSet() :
       value = getattr( item, '_value', None )
       if value :
          Fpp = "%6.3f" %( value )

    return "  %s:  %s  %s" %( atomType, Fp, Fpp )