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Verified Commit b8e84dee authored by Xavier Robin's avatar Xavier Robin
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doc: geometric_center

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