1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
|
import __main__
import sys
import os.path
import optparse
from ost import io, mol, seq, geom, conop, gui, settings, gfx
import ost
try:
from ost import img
import ost.img.alg
_img_present=True
except ImportError:
_img_present=False
pass
import http.client
from PyQt5 import QtGui, QtWidgets, QtCore
from ost.gui.scene.init_inspector import _InitInspector
from ost.gui.init_menubar import _InitMenuBar
from ost.gui.init_spacenav import _InitSpaceNav
from ost.gui.init_context_menu import _InitContextMenu
from ost.gui.init_splash import _InitSplash
from ost.gui.dng import termuse
from ost.gui.dng import superpositiondialog
from ost.gui.scene.remote import RemoteLoader
import ost.gui.dng.menu
def _my_exit(code):
QtWidgets.QApplication.instance().quit()
gui.GostyApp.Instance().ProcessEvents()
sys._exit(code)
sys._exit=sys.exit
sys.exit=_my_exit
def _InitRuleBasedProcessor():
compound_lib_path=os.path.join(ost.GetSharedDataPath(), 'compounds.chemlib')
if os.path.exists(compound_lib_path):
conop_inst=conop.Conopology.Instance()
compound_lib=conop.CompoundLib.Load(compound_lib_path)
conop_inst.SetDefaultLib(compound_lib)
io.profiles['DEFAULT'].processor = conop.RuleBasedProcessor(compound_lib)
# switch to rule-based processor for high fidelity if compounds.chemlib is
# available
_InitRuleBasedProcessor()
def _CheckRestore():
settings = QtCore.QSettings()
restore = settings.value("restore_settings",QtCore.QVariant(False))
if not restore:
settings.clear()
settings.setValue("restore_settings",QtCore.QVariant(True))
def _InitPanels(app):
panels = app.perspective.panels
panels.AddWidgetToPool('ost.gui.FileBrowser', -1)
panels.AddWidgetToPool('ost.gui.PythonShell', 1)
panels.AddWidgetToPool('ost.gui.SceneWin', 1)
panels.AddWidgetToPool('ost.gui.SequenceViewer', 1)
panels.AddWidgetToPool('ost.gui.MessageWidget', 1)
if not panels.Restore("ui/perspective/panels"):
panels.AddWidget(gui.PanelPosition.LEFT_PANEL, app.scene_win)
panels.AddWidgetByName(gui.PanelPosition.LEFT_PANEL,
'ost.gui.FileBrowser', False)
panels.AddWidget(gui.PanelPosition.BOTTOM_PANEL, app.seq_viewer)
panels.AddWidget(gui.PanelPosition.BOTTOM_PANEL, app.py_shell)
panels.AddWidget(gui.PanelPosition.RIGHT_PANEL, app.message_widget)
return False
return True
def _InitFrontEnd(try_stereo):
_CheckRestore()
app=gui.GostyApp.Instance()
app.SetAppTitle("DNG")
app.TryStereo(try_stereo)
main_area=app.perspective.main_area
_InitSpaceNav(app)
_InitContextMenu(app)
main_area.AddPersistentWidget("3D Scene", "gl_win" , app.gl_win,
int(QtCore.Qt.WindowMaximized))
_InitInspector(app)
ost.gui.dng.menu._InitMenu()
app.perspective.Restore()
additional_modules=getattr(__main__, 'ADDITIONAL_GUI_MODULES', [])
for module_name in additional_modules:
__import__(module_name)
app.ProcessEvents()
if not _InitPanels(app):
_InitSplash()
def _load_files():
input_files=[_SplitIDSel(arg) for arg in loading_list]
for f in input_files:
selection=_get_selection_query(f[1])
gui.FileLoader.LoadObject(f[0],selection)
def _get_selection_query(sel):
if len(options.query)>0:
if len(sel)>0:
return '(%s) and (%s)' % (options.query, sel)
else:
return options.query
elif len(sel)>0:
return sel
return ""
def _execute_script():
script=script_argv[0]
sys_argv_backup=sys.argv
sys.argv=script_argv
try:
exec(compile(open(script).read(), script, 'exec'), __main__.__dict__)
finally:
sys.argv=sys_argv_backup
def show_help(option, opt, value, parser):
parser.print_help()
QtWidgets.QApplication.instance().exit()
sys.exit(-1)
def parse_script_option(option, opt, value, parser):
script_argv.append(value)
for arg in parser.rargs:
script_argv.append(arg)
del parser.rargs[0:len(parser.rargs)]
def _SplitIDSel(name):
pos=name.find('[')
if pos>-1:
return name[:pos], name[pos+1:-1]
return name, ''
def stop():
gui.GostyApp.Instance().StopScript()
loading_list=[]
script_argv=[]
#images=[]
#viewers=[]
usage = 'usage: dng [options] [files to load]'
class OstOptionParser(optparse.OptionParser):
def __init__(self, **kwargs):
optparse.OptionParser.__init__(self, **kwargs)
def exit(self, status_code, error_message):
print(error_message, end=' ')
QtWidgets.QApplication.instance().exit()
sys.exit(-1)
parser=OstOptionParser(usage=usage,conflict_handler="resolve")
parser.add_option("-h", "--help", action="callback", callback=show_help, help="show this help message and exit")
parser.add_option("-v", "--verbosity_level", action="store", type="int", dest="vlevel", default=2,
help="sets the verbosity level [default: %default]")
parser.add_option("-s", "--script", action="callback", default=[], dest="script", type="string", callback=parse_script_option, help="executes a script (syntax: -s SCRIPT [options] [args]) Anything that follows this option is passed to the script")
parser.add_option("-p", "--processor", dest="processor", default="HEURISTIC", help="Type of processor used by the progam (either RULE_BASED or HEURISTIC) [default: %default]")
parser.add_option("-c", "--compound_library", dest="complib", default="compounds.chemlib", help="Compound library for the RULE_BASED processor (only used if --processor option is set to RULE_BASED, otherwise ignored [default: %default]")
parser.add_option("-q", "--query", dest="query", default="", help="Selection query to be highlighted automatically upon loading (only used when a PDB file is loaded, otherwise ignored [default: None]")
parser.add_option("-S","--stereo", dest="try_stereo", default=False, action="store_true",help="try to get a quad-buffer stereo visual")
parser.disable_interspersed_args()
(options, args) = parser.parse_args()
if len(parser.rargs)!=0:
for rargs_string in parser.rargs:
if not rargs_string.endswith('.py'):
loading_list.append(rargs_string)
else:
print('Error: one of the files to load is a Python script, use -s flag to execute it\n')
QtWidgets.QApplication.instance().exit()
sys.exit(-1)
if len(options.script)!=0:
script_argv=options.script
if options.processor=="RULE_BASED":
from ost import conop
if os.path.exists(options.complib):
compound_lib=conop.CompoundLib.Load(options.complib)
conop.SetDefaultLib(compound_lib)
io.profiles['DEFAULT'].processor = conop.RuleBasedProcessor(compound_lib)
home = os.getenv('HOME') or os.getenv('USERPROFILE')
_ostrc=os.path.join(home, '.ostrc')
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()
|
