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- __builtin__.object
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- AtomDensity
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- AtomDensityPtr
- AtomDensity_GridValues
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- AtomDensity_GridValuesPtr
- DGridhelp
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- DGridhelpPtr
- DensityGrid
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- DensityGridPtr
class AtomDensity(__builtin__.object) |
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Methods defined here:
- InGrid(*args)
- __del__(self, destroy=<built-in function delete_AtomDensity>)
- __getattr__ lambda self, name
- __init__(self, *args)
- __repr__(self)
- __setattr__ lambda self, name, value
- atomRadius(*args)
- calc(*args)
- calcDerv(*args)
- distType(*args)
- ecalc(*args)
- getGrid(*args)
- help(*args)
- modified(*args)
- setAtomRadius(*args)
- setDistType(*args)
- setVerbose(*args)
- updateValues(*args)
- verbose(*args)
- writeEDM(*args)
Properties defined here:
- grid
- get = AtomDensity_grid_get(...)
- set = AtomDensity_grid_set(...)
- gridVals
- get = AtomDensity_gridVals_get(...)
- set = AtomDensity_gridVals_set(...)
- nAtoms
- get = AtomDensity_nAtoms_get(...)
- set = AtomDensity_nAtoms_set(...)
Data and other attributes defined here:
- CROSS_CORRELATION = 1
- DIFF = 0
- GAUSSIAN = 1
- QUARTIC = 0
- __dict__ = <dictproxy object at 0x26ce6a8>
dictionary for instance variables (if defined)
- __swig_getmethods__ = {'grid': <built-in function AtomDensity_grid_get>, 'gridVals': <built-in function AtomDensity_gridVals_get>, 'nAtoms': <built-in function AtomDensity_nAtoms_get>}
- __swig_setmethods__ = {'grid': <built-in function AtomDensity_grid_set>, 'gridVals': <built-in function AtomDensity_gridVals_set>, 'nAtoms': <built-in function AtomDensity_nAtoms_set>}
- __weakref__ = <attribute '__weakref__' of 'AtomDensity' objects>
list of weak references to the object (if defined)
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class AtomDensityPtr(AtomDensity) |
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- Method resolution order:
- AtomDensityPtr
- AtomDensity
- __builtin__.object
Methods defined here:
- __init__(self, this)
Methods inherited from AtomDensity:
- InGrid(*args)
- __del__(self, destroy=<built-in function delete_AtomDensity>)
- __getattr__ lambda self, name
- __repr__(self)
- __setattr__ lambda self, name, value
- atomRadius(*args)
- calc(*args)
- calcDerv(*args)
- distType(*args)
- ecalc(*args)
- getGrid(*args)
- help(*args)
- modified(*args)
- setAtomRadius(*args)
- setDistType(*args)
- setVerbose(*args)
- updateValues(*args)
- verbose(*args)
- writeEDM(*args)
Properties inherited from AtomDensity:
- grid
- get = AtomDensity_grid_get(...)
- set = AtomDensity_grid_set(...)
- gridVals
- get = AtomDensity_gridVals_get(...)
- set = AtomDensity_gridVals_set(...)
- nAtoms
- get = AtomDensity_nAtoms_get(...)
- set = AtomDensity_nAtoms_set(...)
Data and other attributes inherited from AtomDensity:
- CROSS_CORRELATION = 1
- DIFF = 0
- GAUSSIAN = 1
- QUARTIC = 0
- __dict__ = <dictproxy object at 0x26cea28>
dictionary for instance variables (if defined)
- __swig_getmethods__ = {'grid': <built-in function AtomDensity_grid_get>, 'gridVals': <built-in function AtomDensity_gridVals_get>, 'nAtoms': <built-in function AtomDensity_nAtoms_get>}
- __swig_setmethods__ = {'grid': <built-in function AtomDensity_grid_set>, 'gridVals': <built-in function AtomDensity_gridVals_set>, 'nAtoms': <built-in function AtomDensity_nAtoms_set>}
- __weakref__ = <attribute '__weakref__' of 'AtomDensity' objects>
list of weak references to the object (if defined)
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class AtomDensity_GridValues(__builtin__.object) |
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Methods defined here:
- __del__(self, destroy=<built-in function delete_AtomDensity_GridValues>)
- __getattr__ lambda self, name
- __init__(self, *args)
- __repr__(self)
- __setattr__ lambda self, name, value
Properties defined here:
- cushion
- get = AtomDensity_GridValues_cushion_get(...)
- set = AtomDensity_GridValues_cushion_set(...)
- xdelta
- get = AtomDensity_GridValues_xdelta_get(...)
- set = AtomDensity_GridValues_xdelta_set(...)
- xmax
- get = AtomDensity_GridValues_xmax_get(...)
- set = AtomDensity_GridValues_xmax_set(...)
- xmin
- get = AtomDensity_GridValues_xmin_get(...)
- set = AtomDensity_GridValues_xmin_set(...)
- ydelta
- get = AtomDensity_GridValues_ydelta_get(...)
- set = AtomDensity_GridValues_ydelta_set(...)
- ymax
- get = AtomDensity_GridValues_ymax_get(...)
- set = AtomDensity_GridValues_ymax_set(...)
- ymin
- get = AtomDensity_GridValues_ymin_get(...)
- set = AtomDensity_GridValues_ymin_set(...)
- zdelta
- get = AtomDensity_GridValues_zdelta_get(...)
- set = AtomDensity_GridValues_zdelta_set(...)
- zmax
- get = AtomDensity_GridValues_zmax_get(...)
- set = AtomDensity_GridValues_zmax_set(...)
- zmin
- get = AtomDensity_GridValues_zmin_get(...)
- set = AtomDensity_GridValues_zmin_set(...)
Data and other attributes defined here:
- __dict__ = <dictproxy object at 0x26cea28>
dictionary for instance variables (if defined)
- __swig_getmethods__ = {'cushion': <built-in function AtomDensity_GridValues_cushion_get>, 'xdelta': <built-in function AtomDensity_GridValues_xdelta_get>, 'xmax': <built-in function AtomDensity_GridValues_xmax_get>, 'xmin': <built-in function AtomDensity_GridValues_xmin_get>, 'ydelta': <built-in function AtomDensity_GridValues_ydelta_get>, 'ymax': <built-in function AtomDensity_GridValues_ymax_get>, 'ymin': <built-in function AtomDensity_GridValues_ymin_get>, 'zdelta': <built-in function AtomDensity_GridValues_zdelta_get>, 'zmax': <built-in function AtomDensity_GridValues_zmax_get>, 'zmin': <built-in function AtomDensity_GridValues_zmin_get>}
- __swig_setmethods__ = {'cushion': <built-in function AtomDensity_GridValues_cushion_set>, 'xdelta': <built-in function AtomDensity_GridValues_xdelta_set>, 'xmax': <built-in function AtomDensity_GridValues_xmax_set>, 'xmin': <built-in function AtomDensity_GridValues_xmin_set>, 'ydelta': <built-in function AtomDensity_GridValues_ydelta_set>, 'ymax': <built-in function AtomDensity_GridValues_ymax_set>, 'ymin': <built-in function AtomDensity_GridValues_ymin_set>, 'zdelta': <built-in function AtomDensity_GridValues_zdelta_set>, 'zmax': <built-in function AtomDensity_GridValues_zmax_set>, 'zmin': <built-in function AtomDensity_GridValues_zmin_set>}
- __weakref__ = <attribute '__weakref__' of 'AtomDensity_GridValues' objects>
list of weak references to the object (if defined)
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class AtomDensity_GridValuesPtr(AtomDensity_GridValues) |
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- Method resolution order:
- AtomDensity_GridValuesPtr
- AtomDensity_GridValues
- __builtin__.object
Methods defined here:
- __init__(self, this)
Methods inherited from AtomDensity_GridValues:
- __del__(self, destroy=<built-in function delete_AtomDensity_GridValues>)
- __getattr__ lambda self, name
- __repr__(self)
- __setattr__ lambda self, name, value
Properties inherited from AtomDensity_GridValues:
- cushion
- get = AtomDensity_GridValues_cushion_get(...)
- set = AtomDensity_GridValues_cushion_set(...)
- xdelta
- get = AtomDensity_GridValues_xdelta_get(...)
- set = AtomDensity_GridValues_xdelta_set(...)
- xmax
- get = AtomDensity_GridValues_xmax_get(...)
- set = AtomDensity_GridValues_xmax_set(...)
- xmin
- get = AtomDensity_GridValues_xmin_get(...)
- set = AtomDensity_GridValues_xmin_set(...)
- ydelta
- get = AtomDensity_GridValues_ydelta_get(...)
- set = AtomDensity_GridValues_ydelta_set(...)
- ymax
- get = AtomDensity_GridValues_ymax_get(...)
- set = AtomDensity_GridValues_ymax_set(...)
- ymin
- get = AtomDensity_GridValues_ymin_get(...)
- set = AtomDensity_GridValues_ymin_set(...)
- zdelta
- get = AtomDensity_GridValues_zdelta_get(...)
- set = AtomDensity_GridValues_zdelta_set(...)
- zmax
- get = AtomDensity_GridValues_zmax_get(...)
- set = AtomDensity_GridValues_zmax_set(...)
- zmin
- get = AtomDensity_GridValues_zmin_get(...)
- set = AtomDensity_GridValues_zmin_set(...)
Data and other attributes inherited from AtomDensity_GridValues:
- __dict__ = <dictproxy object at 0x26ce9f0>
dictionary for instance variables (if defined)
- __swig_getmethods__ = {'cushion': <built-in function AtomDensity_GridValues_cushion_get>, 'xdelta': <built-in function AtomDensity_GridValues_xdelta_get>, 'xmax': <built-in function AtomDensity_GridValues_xmax_get>, 'xmin': <built-in function AtomDensity_GridValues_xmin_get>, 'ydelta': <built-in function AtomDensity_GridValues_ydelta_get>, 'ymax': <built-in function AtomDensity_GridValues_ymax_get>, 'ymin': <built-in function AtomDensity_GridValues_ymin_get>, 'zdelta': <built-in function AtomDensity_GridValues_zdelta_get>, 'zmax': <built-in function AtomDensity_GridValues_zmax_get>, 'zmin': <built-in function AtomDensity_GridValues_zmin_get>}
- __swig_setmethods__ = {'cushion': <built-in function AtomDensity_GridValues_cushion_set>, 'xdelta': <built-in function AtomDensity_GridValues_xdelta_set>, 'xmax': <built-in function AtomDensity_GridValues_xmax_set>, 'xmin': <built-in function AtomDensity_GridValues_xmin_set>, 'ydelta': <built-in function AtomDensity_GridValues_ydelta_set>, 'ymax': <built-in function AtomDensity_GridValues_ymax_set>, 'ymin': <built-in function AtomDensity_GridValues_ymin_set>, 'zdelta': <built-in function AtomDensity_GridValues_zdelta_set>, 'zmax': <built-in function AtomDensity_GridValues_zmax_set>, 'zmin': <built-in function AtomDensity_GridValues_zmin_set>}
- __weakref__ = <attribute '__weakref__' of 'AtomDensity_GridValues' objects>
list of weak references to the object (if defined)
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class DGridhelp(__builtin__.object) |
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Methods defined here:
- __del__(self, destroy=<built-in function delete_DGridhelp>)
- __getattr__ lambda self, name
- __init__(self, *args)
- __repr__(self)
- __setattr__ lambda self, name, value
- atomProb2atomDensity(*args)
Properties defined here:
- grid
- get = DGridhelp_grid_get(...)
- set = DGridhelp_grid_set(...)
Data and other attributes defined here:
- __dict__ = <dictproxy object at 0x26ce6a8>
dictionary for instance variables (if defined)
- __swig_getmethods__ = {'grid': <built-in function DGridhelp_grid_get>}
- __swig_setmethods__ = {'grid': <built-in function DGridhelp_grid_set>}
- __weakref__ = <attribute '__weakref__' of 'DGridhelp' objects>
list of weak references to the object (if defined)
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class DGridhelpPtr(DGridhelp) |
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- Method resolution order:
- DGridhelpPtr
- DGridhelp
- __builtin__.object
Methods defined here:
- __init__(self, this)
Methods inherited from DGridhelp:
- __del__(self, destroy=<built-in function delete_DGridhelp>)
- __getattr__ lambda self, name
- __repr__(self)
- __setattr__ lambda self, name, value
- atomProb2atomDensity(*args)
Properties inherited from DGridhelp:
- grid
- get = DGridhelp_grid_get(...)
- set = DGridhelp_grid_set(...)
Data and other attributes inherited from DGridhelp:
- __dict__ = <dictproxy object at 0x26ce910>
dictionary for instance variables (if defined)
- __swig_getmethods__ = {'grid': <built-in function DGridhelp_grid_get>}
- __swig_setmethods__ = {'grid': <built-in function DGridhelp_grid_set>}
- __weakref__ = <attribute '__weakref__' of 'DGridhelp' objects>
list of weak references to the object (if defined)
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class DensityGrid(__builtin__.object) |
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Methods defined here:
- CData(*args)
- CalcCentroid(*args)
- CopyData(*args)
- EvalEnergy(*args)
- GridParameters(*args)
- GridTest(*args)
- MaxEnergy(*args)
- WriteData(*args)
- __call__(*args)
- __del__(self, destroy=<built-in function delete_DensityGrid>)
- __getattr__ lambda self, name
- __iadd__(*args)
- __init__(self, *args)
- __repr__(self)
- __setattr__ lambda self, name, value
- centroid(*args)
- dataSum(*args)
- getData(*args)
- getEData(*args)
- getGridCoords(*args)
- maxPos(*args)
- maxVal(*args)
- rotMat(*args)
- rotMatT(*args)
- scale(*args)
- setCentroid(*args)
- setRotMat(*args)
- setRotMatT(*args)
- setTransVec(*args)
- toGrid(*args)
- toGridX(*args)
- toGridY(*args)
- toGridZ(*args)
- toPoint(*args)
- transVec(*args)
- writeEDM(*args)
- zero(*args)
Properties defined here:
- Edata
- get = DensityGrid_Edata_get(...)
- set = DensityGrid_Edata_set(...)
- alen
- get = DensityGrid_alen_get(...)
- set = DensityGrid_alen_set(...)
- amin
- get = DensityGrid_amin_get(...)
- set = DensityGrid_amin_set(...)
- bmin
- get = DensityGrid_bmin_get(...)
- set = DensityGrid_bmin_set(...)
- cmin
- get = DensityGrid_cmin_get(...)
- set = DensityGrid_cmin_set(...)
- data
- get = DensityGrid_data_get(...)
- set = DensityGrid_data_set(...)
- gridCoords
- get = DensityGrid_gridCoords_get(...)
- set = DensityGrid_gridCoords_set(...)
- grid_pmeter
- get = DensityGrid_grid_pmeter_get(...)
- set = DensityGrid_grid_pmeter_set(...)
- xdelta
- get = DensityGrid_xdelta_get(...)
- set = DensityGrid_xdelta_set(...)
- xnum
- get = DensityGrid_xnum_get(...)
- set = DensityGrid_xnum_set(...)
- ydelta
- get = DensityGrid_ydelta_get(...)
- set = DensityGrid_ydelta_set(...)
- ynum
- get = DensityGrid_ynum_get(...)
- set = DensityGrid_ynum_set(...)
- zdelta
- get = DensityGrid_zdelta_get(...)
- set = DensityGrid_zdelta_set(...)
- znum
- get = DensityGrid_znum_get(...)
- set = DensityGrid_znum_set(...)
Data and other attributes defined here:
- __dict__ = <dictproxy object at 0x26ce948>
dictionary for instance variables (if defined)
- __swig_getmethods__ = {'Edata': <built-in function DensityGrid_Edata_get>, 'alen': <built-in function DensityGrid_alen_get>, 'amin': <built-in function DensityGrid_amin_get>, 'bmin': <built-in function DensityGrid_bmin_get>, 'cmin': <built-in function DensityGrid_cmin_get>, 'data': <built-in function DensityGrid_data_get>, 'gridCoords': <built-in function DensityGrid_gridCoords_get>, 'grid_pmeter': <built-in function DensityGrid_grid_pmeter_get>, 'xdelta': <built-in function DensityGrid_xdelta_get>, 'xnum': <built-in function DensityGrid_xnum_get>, ...}
- __swig_setmethods__ = {'Edata': <built-in function DensityGrid_Edata_set>, 'alen': <built-in function DensityGrid_alen_set>, 'amin': <built-in function DensityGrid_amin_set>, 'bmin': <built-in function DensityGrid_bmin_set>, 'cmin': <built-in function DensityGrid_cmin_set>, 'data': <built-in function DensityGrid_data_set>, 'gridCoords': <built-in function DensityGrid_gridCoords_set>, 'grid_pmeter': <built-in function DensityGrid_grid_pmeter_set>, 'xdelta': <built-in function DensityGrid_xdelta_set>, 'xnum': <built-in function DensityGrid_xnum_set>, ...}
- __weakref__ = <attribute '__weakref__' of 'DensityGrid' objects>
list of weak references to the object (if defined)
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class DensityGridPtr(DensityGrid) |
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- Method resolution order:
- DensityGridPtr
- DensityGrid
- __builtin__.object
Methods defined here:
- __init__(self, this)
Methods inherited from DensityGrid:
- CData(*args)
- CalcCentroid(*args)
- CopyData(*args)
- EvalEnergy(*args)
- GridParameters(*args)
- GridTest(*args)
- MaxEnergy(*args)
- WriteData(*args)
- __call__(*args)
- __del__(self, destroy=<built-in function delete_DensityGrid>)
- __getattr__ lambda self, name
- __iadd__(*args)
- __repr__(self)
- __setattr__ lambda self, name, value
- centroid(*args)
- dataSum(*args)
- getData(*args)
- getEData(*args)
- getGridCoords(*args)
- maxPos(*args)
- maxVal(*args)
- rotMat(*args)
- rotMatT(*args)
- scale(*args)
- setCentroid(*args)
- setRotMat(*args)
- setRotMatT(*args)
- setTransVec(*args)
- toGrid(*args)
- toGridX(*args)
- toGridY(*args)
- toGridZ(*args)
- toPoint(*args)
- transVec(*args)
- writeEDM(*args)
- zero(*args)
Properties inherited from DensityGrid:
- Edata
- get = DensityGrid_Edata_get(...)
- set = DensityGrid_Edata_set(...)
- alen
- get = DensityGrid_alen_get(...)
- set = DensityGrid_alen_set(...)
- amin
- get = DensityGrid_amin_get(...)
- set = DensityGrid_amin_set(...)
- bmin
- get = DensityGrid_bmin_get(...)
- set = DensityGrid_bmin_set(...)
- cmin
- get = DensityGrid_cmin_get(...)
- set = DensityGrid_cmin_set(...)
- data
- get = DensityGrid_data_get(...)
- set = DensityGrid_data_set(...)
- gridCoords
- get = DensityGrid_gridCoords_get(...)
- set = DensityGrid_gridCoords_set(...)
- grid_pmeter
- get = DensityGrid_grid_pmeter_get(...)
- set = DensityGrid_grid_pmeter_set(...)
- xdelta
- get = DensityGrid_xdelta_get(...)
- set = DensityGrid_xdelta_set(...)
- xnum
- get = DensityGrid_xnum_get(...)
- set = DensityGrid_xnum_set(...)
- ydelta
- get = DensityGrid_ydelta_get(...)
- set = DensityGrid_ydelta_set(...)
- ynum
- get = DensityGrid_ynum_get(...)
- set = DensityGrid_ynum_set(...)
- zdelta
- get = DensityGrid_zdelta_get(...)
- set = DensityGrid_zdelta_set(...)
- znum
- get = DensityGrid_znum_get(...)
- set = DensityGrid_znum_set(...)
Data and other attributes inherited from DensityGrid:
- __dict__ = <dictproxy object at 0x26ce8a0>
dictionary for instance variables (if defined)
- __swig_getmethods__ = {'Edata': <built-in function DensityGrid_Edata_get>, 'alen': <built-in function DensityGrid_alen_get>, 'amin': <built-in function DensityGrid_amin_get>, 'bmin': <built-in function DensityGrid_bmin_get>, 'cmin': <built-in function DensityGrid_cmin_get>, 'data': <built-in function DensityGrid_data_get>, 'gridCoords': <built-in function DensityGrid_gridCoords_get>, 'grid_pmeter': <built-in function DensityGrid_grid_pmeter_get>, 'xdelta': <built-in function DensityGrid_xdelta_get>, 'xnum': <built-in function DensityGrid_xnum_get>, ...}
- __swig_setmethods__ = {'Edata': <built-in function DensityGrid_Edata_set>, 'alen': <built-in function DensityGrid_alen_set>, 'amin': <built-in function DensityGrid_amin_set>, 'bmin': <built-in function DensityGrid_bmin_set>, 'cmin': <built-in function DensityGrid_cmin_set>, 'data': <built-in function DensityGrid_data_set>, 'gridCoords': <built-in function DensityGrid_gridCoords_set>, 'grid_pmeter': <built-in function DensityGrid_grid_pmeter_set>, 'xdelta': <built-in function DensityGrid_xdelta_set>, 'xnum': <built-in function DensityGrid_xnum_set>, ...}
- __weakref__ = <attribute '__weakref__' of 'DensityGrid' objects>
list of weak references to the object (if defined)
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