def _RotateDelta(self, delta):
"""
Responds to a change in mouse position of delta.
"""
if delta.y() != 0:
gfx.Scene().Apply(
gfx.InputEvent(gfx.INPUT_DEVICE_MOUSE, gfx.INPUT_COMMAND_ROTX,
delta.y() * 0.5), False)
if delta.x() != 0:
gfx.Scene().Apply(
gfx.InputEvent(gfx.INPUT_DEVICE_MOUSE, gfx.INPUT_COMMAND_ROTY,
delta.x() * 0.5), False)
self.update()
def Changed(self, tx, ty, tz, rx, ry, rz):
scene = gfx.Scene()
tf = scene.transform
def d(r):
if r == 0.0:
return 0.0
rr = r / abs(r) * max(0.0, abs(r) - 0.9)
if abs(rr) > 0:
return rr / abs(rr) * (math.pow(1.01, abs(rr)) -
1.0) * 40.0 / self.speed
return 0.0
if (self.trans):
tf.ApplyXAxisTranslation(d(tx))
tf.ApplyYAxisTranslation(d(ty))
# adjust translation speed to distance from viewpoint
currz = tf.trans[2]
delta = currz * math.pow(1.01, d(tz)) - currz
tf.ApplyZAxisTranslation(delta)
# adjust near and far clipping planes together with z trans
scene.SetNearFar(scene.near - delta, scene.far - delta)
if (self.rot):
tf.ApplyXAxisRotation(d(rx))
tf.ApplyYAxisRotation(d(ry))
tf.ApplyZAxisRotation(d(rz))
scene.transform = tf
scene.RequestRedraw()
def wheelEvent(self, event):
"""
Scrolling zooming is...
"""
gfx.Scene().Apply(
gfx.InputEvent(gfx.INPUT_DEVICE_MOUSE, gfx.INPUT_COMMAND_TRANSZ,
-0.1 * event.delta()), False)
self.update()
def _UniqueName(self, ent):
"""
Returns a name based on ent that is unique within the scene
"""
ent_name=ent.GetName()
num=2
while True:
candidate_name='%s-%d' % (ent_name, num)
if not gfx.Scene().HasNode(candidate_name):
return candidate_name
num+=1
def _CopyViews(self):
views_to_add=[]
scene_selection=gui.SceneSelection.Instance()
ent=scene_selection.GetActiveNode(0)
dialog=QueryDialog('Select...')
if dialog.exec_():
q=mol.Query(dialog.query)
if q.IsValid():
for i in range(scene_selection.GetActiveNodeCount()):
ent=scene_selection.GetActiveNode(i)
selected=ent.view.Select(q, dialog.query_flags)
gfx_ent=gfx.Entity(self._UniqueName(ent),selected)
gfx.Scene().Add(gfx_ent)
else:
ost.LogError("invalid query: %s" % q.error)
def _DoLoad(self):
split_ids = []
for p in str(self._line.text()).split(','):
for k in p.split():
if len(k.strip()):
split_ids.append(k.strip())
self._line.setText('')
for split_id in split_ids:
try:
ent = RemoteLoad(split_id, from_repo=self._current_repo)
except Exception as e:
LogError(str(e))
continue
g = gfx.Entity(split_id, ent)
try:
gfx.Scene().Add(g)
except Exception as e:
LogError(str(e))
def __CalculateSurface(self,ent_list,name,msms_exe,density,
radius,selection,noh,nohet,nowat):
for entity in ent_list:
if isinstance(entity, gfx.Entity):
try:
s=msms.CalculateSurface(entity.view,
msms_exe=msms_exe,
density=density,
radius=radius,
selection=selection,
no_hydrogens=noh,
no_hetatoms=nohet,
no_waters=nowat)[0]
gfx.Scene().Add(gfx.Surface("%s_%s"%(entity.GetName(),name),s))
except (RuntimeError, msms.MsmsProcessError):
LogError("WARNING: Surface could not be calculated")
return
except UserWarning:
LogError("WARNING: Entry with the same name already present in scene")
return
if os.path.exists(_ostrc):
try:
exec(compile(open(_ostrc).read(), _ostrc, 'exec'))
except Exception as e:
print(e)
else:
rcfile = open(_ostrc, "w")
print('# This python file is parsed by ost and dng at startup',
file=rcfile)
print('# Its content is made available in the global namespace',
file=rcfile)
print('# It can be used to define custom variables and functions',
file=rcfile)
print('# For example:', file=rcfile)
print('# IMPORTANT_DIR="path/to/important/dir"', file=rcfile)
rcfile.close()
ost.gui.PushVerbosityLevel(options.vlevel)
working_dir = settings.GetValue("DNG_WORKING_DIR", None)
if working_dir != None and os.path.isdir(working_dir):
os.chdir(working_dir)
_InitFrontEnd(options.try_stereo)
if len(loading_list) != 0:
_load_files()
gfx.Scene().Autoslab()
if len(script_argv) != 0:
_execute_script()
def mousePressEvent(self, event):
self._last_pos = QPoint(event.x(), event.y())
gfx_obj, atom = gfx.PickAtom(gfx.Scene(), event.x(),
self.height() - event.y())
if gfx_obj:
print 'picked: ', gfx_obj.name, atom
def mouseDoubleClickEvent(self, event):
self._last_pos = QPoint(event.x(), event.y())
gfx_obj, atom = gfx.PickAtom(gfx.Scene(), event.x(),
self.height() - event.y())
if gfx_obj:
gfx.Scene().SetCenter(atom.pos)
def test_custom_gfx_obj(self):
myobj=MyGfxObj("foo")
gfx.Scene().Add(myobj)
def paintGL(self):
gfx.Scene().SetShadingMode('hemilight')
gfx.Scene().RenderGL()
def initializeGL(self):
gfx.Scene().InitGL(True)
gfx.Scene().fogno = 10
def __init__(self, threed_widget):
gfx.GLWinBase.__init__(self)
self._threed_widget = weakref.proxy(threed_widget)
gfx.Scene().Register(self)
delta.x() * 0.5), False)
self.update()
def App(title='OST Viewer', width=800, height=600):
"""
"""
import sys
app = QApplication(sys.argv)
fmt = QGLFormat()
fmt.setAlpha(True)
fmt.setSampleBuffers(True)
wnd = ThreeDWidget(fmt)
wnd.resize(width, height)
wnd.setWindowTitle(title)
wnd.show()
app.threed = wnd
return app
if __name__ == '__main__':
from ost import io
# example use
app = App()
structure = io.LoadPDB('1crn.pdb')
obj = gfx.Entity('structure', gfx.HSC, structure)
obj.SetColor(gfx.YELLOW, 'rtype=H,E')
obj.SetDetailColor(gfx.RED, 'rtype=H,E')
gfx.Scene().Add(obj)
app.exec_()
def resizeGL(self, w, h):
gfx.Scene().Resize(w, h)
def test_gfxobj_conv(self):
e=mol.CreateEntity()
gfx.Scene().Add(gfx.Entity("foo2",e))
gfx.Scene()["foo2"].SetColor(gfx.YELLOW)