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- atomSelAction.PyAtomSelAction(atomSelAction.Base)
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- PrintPos
- RandomizeVelocities
- SetPropertyArr
- TranslateFit
class PrintPos(atomSelAction.PyAtomSelAction) |
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PrintPos(otherCoords=0)
print position of atoms in selection |
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- Method resolution order:
- PrintPos
- atomSelAction.PyAtomSelAction
- atomSelAction.Base
- builtins.object
Methods defined here:
- __init__(s, otherCoords=0)
- Initialize self. See help(type(self)) for accurate signature.
- init(s, sel)
- run(s, sim, index)
Methods inherited from atomSelAction.PyAtomSelAction:
- __repr__ = _swig_repr(self)
- pyXplorHelp(self, *args, **kwargs) -> 'String'
Static methods inherited from atomSelAction.PyAtomSelAction:
- __swig_destroy__ = delete_PyAtomSelAction(...)
Data descriptors inherited from atomSelAction.PyAtomSelAction:
- thisown
The membership flag
Methods inherited from atomSelAction.Base:
- finish_unused(self, *args, **kwargs) -> 'void'
- init_unused(self, *args, **kwargs) -> 'void'
- returnMethodName(self, *args, **kwargs) -> 'String'
Data descriptors inherited from atomSelAction.Base:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
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class RandomizeVelocities(atomSelAction.PyAtomSelAction) |
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RandomizeVelocities(temperature)
randomize atomic velocities according to a Maxwell distribution
corresponding to the given temperature. |
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- Method resolution order:
- RandomizeVelocities
- atomSelAction.PyAtomSelAction
- atomSelAction.Base
- builtins.object
Methods defined here:
- __init__(s, temperature)
- Initialize self. See help(type(self)) for accurate signature.
- run(s, sim, index)
Methods inherited from atomSelAction.PyAtomSelAction:
- __repr__ = _swig_repr(self)
- pyXplorHelp(self, *args, **kwargs) -> 'String'
Static methods inherited from atomSelAction.PyAtomSelAction:
- __swig_destroy__ = delete_PyAtomSelAction(...)
Data descriptors inherited from atomSelAction.PyAtomSelAction:
- thisown
The membership flag
Methods inherited from atomSelAction.Base:
- finish_unused(self, *args, **kwargs) -> 'void'
- init_unused(self, *args, **kwargs) -> 'void'
- returnMethodName(self, *args, **kwargs) -> 'String'
Data descriptors inherited from atomSelAction.Base:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
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class SetPropertyArr(atomSelAction.PyAtomSelAction) |
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SetPropertyArr(name, val)
set named property of all atom.Atoms in a selection
usage:
sel = AtomSel("string")
sel.apply(SetProperty(name,val)
where
name is a property of an atom (e.g. pos) and val is the value to set
that property. If val is an sequence of length len(sel), values will be
set appropriately.
atomSelAction.SetProperty is an optimized version of this class which
allows atom properties top be set to a constant value. |
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- Method resolution order:
- SetPropertyArr
- atomSelAction.PyAtomSelAction
- atomSelAction.Base
- builtins.object
Methods defined here:
- __init__(s, name, val)
- Initialize self. See help(type(self)) for accurate signature.
- run(s, sim, index)
Methods inherited from atomSelAction.PyAtomSelAction:
- __repr__ = _swig_repr(self)
- pyXplorHelp(self, *args, **kwargs) -> 'String'
Static methods inherited from atomSelAction.PyAtomSelAction:
- __swig_destroy__ = delete_PyAtomSelAction(...)
Data descriptors inherited from atomSelAction.PyAtomSelAction:
- thisown
The membership flag
Methods inherited from atomSelAction.Base:
- finish_unused(self, *args, **kwargs) -> 'void'
- init_unused(self, *args, **kwargs) -> 'void'
- returnMethodName(self, *args, **kwargs) -> 'String'
Data descriptors inherited from atomSelAction.Base:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
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class TranslateFit(atomSelAction.PyAtomSelAction) |
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TranslateFit(fitCoords, fitSel=0)
translate atom positions to best-fit coordinates specified by fitCoords.
fitCoords must have size sim.numAtoms() |
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- Method resolution order:
- TranslateFit
- atomSelAction.PyAtomSelAction
- atomSelAction.Base
- builtins.object
Methods defined here:
- __init__(s, fitCoords, fitSel=0)
- fitCoords- coordinates to use for fitting.
fitSel - subset of atoms to use in calculating fit (default: known)
After construction, the fit is calculated and stored in member trans.
- run(s, sim, index)
Methods inherited from atomSelAction.PyAtomSelAction:
- __repr__ = _swig_repr(self)
- pyXplorHelp(self, *args, **kwargs) -> 'String'
Static methods inherited from atomSelAction.PyAtomSelAction:
- __swig_destroy__ = delete_PyAtomSelAction(...)
Data descriptors inherited from atomSelAction.PyAtomSelAction:
- thisown
The membership flag
Methods inherited from atomSelAction.Base:
- finish_unused(self, *args, **kwargs) -> 'void'
- init_unused(self, *args, **kwargs) -> 'void'
- returnMethodName(self, *args, **kwargs) -> 'String'
Data descriptors inherited from atomSelAction.Base:
- __dict__
dictionary for instance variables (if defined)
- __weakref__
list of weak references to the object (if defined)
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