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schwede
openstructure
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b8e84dee
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b8e84dee
authored
2 years ago
by
Xavier Robin
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doc: geometric_center
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modules/mol/base/doc/entity.rst
+72
-49
72 additions, 49 deletions
modules/mol/base/doc/entity.rst
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modules/mol/base/doc/entity.rst
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b8e84dee
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@@ -98,19 +98,28 @@ The Handle Classes
:type: float
.. attribute:: center_of_mass
Center of mass. Also available as :meth:`GetCenterOfMass`
:type: :class:`~ost.geom.Vec3`
.. attribute:: center_of_atoms
Center of atoms, that is the average atom position of the entity.
Use :attr:`center_of_mass` for the the mass-weighted center of the entity.
Also available as :meth:`GetCenterOfAtoms`.
:type: :class:`~ost.geom.Vec3`
.. attribute:: center_of_mass
Center of
atoms (not mass-weighted). Also available as
:meth:`GetCenterOf
Atom
s`
.
Center of
mass of the entity.
Also available as
:meth:`GetCenterOf
Mas
s`
:type: :class:`~ost.geom.Vec3`
.. attribute:: geometric_center
Mid-point of the axis aligned bounding box of the entity.
Also available as :meth:`GetGeometricCenter`
:type: Vec3
.. attribute:: positions
Equivalent to calling :meth:`GetPositions` with *sort_by_index = True*. This
...
...
@@ -286,29 +295,21 @@ The Handle Classes
alternative atom positions are not handled yet.
.. method:: GetMass()
See :attr:`mass`
.. method:: GetCenterOfAtoms()
Get center of atoms, that is the average atom position of the entity. Use
:meth:`GetCenterOfMass` to calculate the mass-weighted center of the entity.
:returns: :class:`~ost.geom.Vec3`
See :attr:`center_of_atoms`
.. method:: GetCenterOfMass()
Calculates the center of mass of the entity. Use :meth:`GetCenterOfAtoms`
to calculate the non-mass-weighted center of the entity.
:returns: :class:`~ost.geom.Vec3`
See :attr:`center_of_mass`
.. method:: GetGeometricCenter()
Calculates the mid-point of the axis aligned bounding box of the entity.
:returns: :class:`~ost.geom.Vec3`
.. method:: GetMass()
See :attr:`mass`
See :attr:`geometric_center`
.. method:: GetPositions(sort_by_index=True)
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@@ -367,10 +368,17 @@ The Handle Classes
.. attribute:: center_of_mass
Center of mass. Also available as :meth:`GetCenterOfMass`
Center of mass. Also available as :meth:`GetCenterOfMass`
.
:type: :class:`~ost.geom.Vec3`
.. attribute:: geometric_center
Mid-point of the axis aligned bounding box of the chain.
Also available as :meth:`GetGeometricCenter`
:type: Vec3
.. attribute:: description
Details about the chain. Not categorised, just text.
...
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@@ -641,6 +649,12 @@ The Handle Classes
:type: :class:`~ost.geom.Vec3`
.. attribute:: geometric_center
Mid-point of the axis aligned bounding box of the residue.
:type: Vec3
.. attribute:: chain
The chain this residue belongs to. Read-only. Also available as
...
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@@ -851,6 +865,10 @@ The Handle Classes
See :attr:`center_of_mass`
.. method:: GetGeometricCenter()
See :attr:`geometric_center`
.. method:: GetChain()
See :attr:`chain`
...
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@@ -1332,9 +1350,23 @@ The View Classes
.. attribute:: bounds
Axis-aligned bounding box of the entity view. Read-only.
:type: :class:`ost.geom.AlignedCuboid`
See :attr:`EntityHandle.bounds`
.. attribute:: mass
See :attr:`EntityHandle.mass`
.. attribute:: center_of_atoms
See :attr:`EntityHandle.center_of_atoms`
.. attribute:: center_of_mass
See :attr:`EntityHandle.center_of_mass`
.. attribute:: geometric_center
See :attr:`EntityHandle.geometric_center`
.. attribute:: valid
...
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@@ -1695,24 +1727,17 @@ The View Classes
:type: float
.. attribute:: center_of_atoms
See :attr:`ChainHandle.center_of_atoms`
.. attribute:: center_of_mass
Center of mass. Also available as :meth:`GetCenterOfMass`
:type: :class:`~ost.geom.Vec3`
.. attribute:: center_of_atoms
Center of atoms (not mass weighted). Also available as
:meth:`GetCenterOfAtoms`.
:type: :class:`~ost.geom.Vec3`
See :attr:`ChainHandle.center_of_mass`
.. attribute:: geometric_center
Mid-point of the axis aligned bounding box of the entity.
:type: Vec3
See :attr:`ChainHandle.geometric_center`
.. attribute:: valid
...
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@@ -1860,6 +1885,7 @@ The View Classes
mass
center_of_atoms
center_of_mass
geometric_center
phi_torsion
psi_torsion
chem_class
...
...
@@ -1919,6 +1945,7 @@ The View Classes
GetMass
GetCenterOfAtoms
GetCenterOfMass
GetGeometricCenter
GetPhiTorsion
GetPsiTorsion
GetChemClass
...
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@@ -1976,10 +2003,6 @@ The View Classes
.. method:: GetIndex()
See :attr:`index`
.. method:: GetGeometricCenter()
See :attr:`geometric_center`
.. method:: Select(query, flags=0)
...
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