Scripts: vdock_accel.py

#
# Keyboard shortcuts to mark compounds with View Dock in Chimera 1.14.
# To use these use Chimera menu Tools / General / Keyboard Shortcuts and enter
# the path to this file in the "Load shortcuts file" entry of the Keyboard Shortcuts
# window.
#
# Typed two letter shortcuts cd, cx, cv, cn, cp only work when the main Chimera window
# has the focus, not when the View Dock window has the focus.
#
def register_accelerators():

  from Accelerators import standard_accelerators
  standard_accelerators.register_accelerators()

  from Accelerators import add_accelerator
  add_accelerator('cd', 'Mark current View Dock compound deleted', vdock_delete)
  add_accelerator('cx', 'Mark current View Dock compound purged', vdock_purged)
  add_accelerator('cv', 'Mark current View Dock compound viable', vdock_viable)
  add_accelerator('cn', 'Move to next View Dock compound', vdock_next)
  add_accelerator('cp', 'Move to next View Dock compound', vdock_previous)

def vdock_delete():
    from ViewDock.Compound import Compound
    vdock_set_state(Compound.Deleted)

def vdock_purged():
    from ViewDock.Compound import Compound
    vdock_set_state(Compound.Purged)

def vdock_viable():
    from ViewDock.Compound import Compound

def vdock_set_state(state):
    vd = vdock_dialog()
    if vd:
        vd.compoundState.set(state)
# To remove deleted and purged from list:
#        vd.results.setSelectedState(state)
#        vd._reloadCompounds()
    vdock_set_state(Compound.Viable)

def vdock_next():
    vdock_step(1)

def vdock_previous():
    vdock_step(-1)

def vdock_step(step):
    vd = vdock_dialog()
    if vd:
        r = vd.results
        csel = r.selected
        if csel:
          c = csel[0]
          clist = r.compoundList
          i = clist.index(c)
          if i+step < len(clist) and i+step >= 0:
            nextc = clist[i+step]
            vd.results.setSelected([nextc])
    
def vdock_dialog():
    from ViewDock import ViewDock
    from chimera import extension
    for vd in extension.manager.instances:
        if isinstance(vd, ViewDock):
            return vd
    return None