Inheritance diagram for ObjCryst::WXMolecule:
Public Member Functions | |
WXMolecule (wxWindow *parent, Molecule *) | |
virtual | ~WXMolecule () |
void | OnMenuOptimizeConformation (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuPrintRestraintStatus (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuAddAtom (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuAddBond (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuAddAngle (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuAddDihedralAngle (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuAddRigidGroup (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuRigidfyWithDihedralAngles (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuRemoveAtom (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuRemoveBond (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuRemoveAngle (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuRemoveDihedralAngle (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuRemoveRigidGroup (wxCommandEvent &WXUNUSED(event)) |
void | OnMenuSetLimits (wxCommandEvent &event) |
void | OnMenuShowRestraintWindow (wxCommandEvent &event) |
void | OnMenuSetDeltaSigma (wxCommandEvent &event) |
void | OnChangeCenterAtom (wxCommandEvent &event) |
void | OnEditGridAtom (wxGridEvent &e) |
void | OnEditGridBondLength (wxGridEvent &e) |
void | OnEditGridBondAngle (wxGridEvent &e) |
void | OnEditGridDihedralAngle (wxGridEvent &e) |
void | OnEditGridRigidGroup (wxGridEvent &e) |
void | OnMenuExport2ZMatrix (wxCommandEvent &event) |
void | OnMenuTest (wxCommandEvent &event) |
void | NotifyDeleteListWin (WXMolScrolledWindow *win) |
Notify that either the bond, bond angle or dihedral angle list window has been destroyed. | |
virtual void | CrystUpdate (const bool updateUI=false, const bool mutexlock=false) |
Get new values to be displayed from the underlying object, and raise flag if an UI update is necessary. | |
virtual void | UpdateUI (const bool mutexlock=false) |
Update the User Interface, if necessary. | |
virtual bool | Enable (bool enable=true) |
Private Attributes | |
Molecule * | mpMolecule |
WXMolScrolledWindow * | mpAtomWin |
WXMolScrolledWindow * | mpBondWin |
WXMolScrolledWindow * | mpAngleWin |
WXMolScrolledWindow * | mpDihedralAngleWin |
WXMolScrolledWindow * | mpRigidGroupWin |
std::list< CellAtom > | mvpAtom |
Displayed list of atoms. | |
std::list< CellBond > | mvpBond |
Displayed list of bonds, in the order they appear. | |
std::list< CellBondAngle > | mvpBondAngle |
Displayed list of bond angle. | |
std::list< CellDihedralAngle > | mvpDihedralAngle |
Displayed list of Dihedral angles. | |
std::list< CellRigidGroup > | mvpRigidGroup |
Displayed list of Dihedral angles. | |
bool | mIsSelfUpdating |
Flag to indicate whether we are updating values in the wxGrid data. | |
WXFieldChoice * | mpFieldCenterAtom |
Center atom. |
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Get new values to be displayed from the underlying object, and raise flag if an UI update is necessary. The actual GUI update is not made here. UpdateUI() should be called separately, from the main thread.
Reimplemented from ObjCryst::WXRefinableObj. |
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Reimplemented from ObjCryst::WXCrystObj. |
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Notify that either the bond, bond angle or dihedral angle list window has been destroyed.
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Update the User Interface, if necessary.
Reimplemented from ObjCryst::WXRefinableObj. |
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Flag to indicate whether we are updating values in the wxGrid data. (enabled in wxMolecule::UpdateUI()). |
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Center atom.
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Displayed list of atoms.
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Displayed list of bonds, in the order they appear.
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Displayed list of bond angle.
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Displayed list of Dihedral angles.
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Displayed list of Dihedral angles.
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