def afterAddingToNetwork(self):
masterNet = self.macroNetwork
from NetworkEditor.macros import MacroNode
MacroNode.afterAddingToNetwork(self)
from WebServices.VisionInterface.WSNodes import wslib
from Vision.StandardNodes import stdlib
## building macro network ##
LocalLigandDirectory_0 = self
from traceback import print_exc
from WebServices.VisionInterface.WSNodes import wslib
from Vision.StandardNodes import stdlib
masterNet.getEditor().addLibraryInstance(
wslib, "WebServices.VisionInterface.WSNodes", "wslib")
from WebServices.VisionInterface.WSNodes import addOpalServerAsCategory
try:
addOpalServerAsCategory("http://kryptonite.nbcr.net/opal2",
replace=False)
except:
pass
try:
## saving node input Ports ##
input_Ports_1 = self.macroNetwork.ipNode
input_Ports_1.configure(
*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
except:
print(
"WARNING: failed to restore MacroInputNode named input Ports in network self.macroNetwork"
)
print_exc()
input_Ports_1 = None
try:
## saving node output Ports ##
output_Ports_2 = self.macroNetwork.opNode
output_Ports_2.configure(
*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
output_Ports_2.move(294, 448)
except:
print(
"WARNING: failed to restore MacroOutputNode named output Ports in network self.macroNetwork"
)
print_exc()
output_Ports_2 = None
try:
## saving node Make Zip File ##
from Vision.StandardNodes import MakeZipFileNE
Make_Zip_File_3 = MakeZipFileNE(constrkw={},
name='Make Zip File',
library=stdlib)
self.macroNetwork.addNode(Make_Zip_File_3, 136, 158)
Make_Zip_File_3.inputPortByName['input_directory'].configure(
*(), **{'defaultValue': None})
Make_Zip_File_3.inputPortByName['output_directory'].configure(
*(), **{'defaultValue': None})
Make_Zip_File_3.inputPortByName['output_name'].configure(
*(), **{'defaultValue': None})
Make_Zip_File_3.configure(
*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
except:
print(
"WARNING: failed to restore MakeZipFileNE named Make Zip File in network self.macroNetwork"
)
print_exc()
Make_Zip_File_3 = None
try:
## saving node Entry ##
from Vision.StandardNodes import EntryNE
Entry_4 = EntryNE(constrkw={}, name='Entry', library=stdlib)
self.macroNetwork.addNode(Entry_4, 312, 18)
Entry_4.inputPortByName['entry'].configure(
*(), **{'defaultValue': None})
Entry_4.inputPortByName['entry'].widget.set(r"my_ligands.zip",
run=False)
Entry_4.configure(*(), **{'paramPanelImmediate': 1})
except:
print(
"WARNING: failed to restore EntryNE named Entry in network self.macroNetwork"
)
print_exc()
Entry_4 = None
try:
## saving node LigandDBUpload_kryptonite_nbcr_net ##
from NetworkEditor.items import FunctionNode
LigandDBUpload_kryptonite_nbcr_net_5 = FunctionNode(
functionOrString='LigandDBUpload_kryptonite_nbcr_net',
host="http://kryptonite.nbcr.net/opal2",
namedArgs={
'username': '',
'userlib': '',
'password': '',
'localRun': False,
'execPath': '',
'desc': ''
},
constrkw={
'functionOrString': "'LigandDBUpload_kryptonite_nbcr_net'",
'host': '"http://kryptonite.nbcr.net/opal2"',
'namedArgs': {
'username': '',
'userlib': '',
'password': '',
'localRun': False,
'execPath': '',
'desc': ''
}
},
name='LigandDBUpload_kryptonite_nbcr_net',
library=wslib)
self.macroNetwork.addNode(LigandDBUpload_kryptonite_nbcr_net_5,
136, 216)
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'username'].configure(*(), **{'defaultValue': None})
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'userlib'].configure(*(), **{'defaultValue': None})
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'password'].configure(*(), **{'defaultValue': None})
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'localRun'].configure(*(), **{'defaultValue': None})
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'execPath'].configure(*(), **{'defaultValue': None})
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'desc'].configure(*(), **{'defaultValue': None})
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'username'].widget.set(r"", run=False)
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'userlib'].rebindWidget()
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'userlib'].widget.set(r"", run=False)
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'userlib'].unbindWidget()
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'password'].widget.set(r"", run=False)
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'localRun'].widget.set(0, run=False)
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'execPath'].widget.set(r"", run=False)
LigandDBUpload_kryptonite_nbcr_net_5.inputPortByName[
'desc'].widget.set(r"", run=False)
LigandDBUpload_kryptonite_nbcr_net_5.configure(
*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
except:
print(
"WARNING: failed to restore FunctionNode named LigandDBUpload_kryptonite_nbcr_net in network self.macroNetwork"
)
print_exc()
LigandDBUpload_kryptonite_nbcr_net_5 = None
try:
## saving node Index ##
from Vision.StandardNodes import Index
Index_6 = Index(constrkw={}, name='Index', library=stdlib)
self.macroNetwork.addNode(Index_6, 136, 273)
Index_6.inputPortByName['data'].configure(*(),
**{'defaultValue': None})
Index_6.inputPortByName['index'].configure(
*(), **{'defaultValue': None})
Index_6.outputPortByName['data'].configure(
*(), **{'datatype': 'string'})
Index_6.inputPortByName['index'].widget.configure(
*(), **{
'max': 7,
'min': -8
})
Index_6.inputPortByName['index'].widget.set(0, run=False)
Index_6.configure(*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
except:
print(
"WARNING: failed to restore Index named Index in network self.macroNetwork"
)
print_exc()
Index_6 = None
try:
## saving node ReplaceURL ##
from WebServices.VisionInterface.WSNodes import ReplaceURLNode
ReplaceURL_7 = ReplaceURLNode(constrkw={},
name='ReplaceURL',
library=wslib)
self.macroNetwork.addNode(ReplaceURL_7, 328, 327)
ReplaceURL_7.inputPortByName['url'].configure(
*(), **{'defaultValue': None})
ReplaceURL_7.inputPortByName['newfilename'].configure(
*(), **{'defaultValue': None})
ReplaceURL_7.inputPortByName['url'].rebindWidget()
ReplaceURL_7.inputPortByName['url'].widget.set(r"", run=False)
ReplaceURL_7.inputPortByName['url'].unbindWidget()
ReplaceURL_7.configure(*(), **{'paramPanelImmediate': 1})
except:
print(
"WARNING: failed to restore ReplaceURLNode named ReplaceURL in network self.macroNetwork"
)
print_exc()
ReplaceURL_7 = None
try:
## saving node CreateLigandDBObj ##
from Vision.StandardNodes import Generic
CreateLigandDBObj_8 = Generic(constrkw={},
name='CreateLigandDBObj',
library=stdlib)
self.macroNetwork.addNode(CreateLigandDBObj_8, 217, 385)
CreateLigandDBObj_8.addInputPort(
*(), **{
'singleConnection': True,
'name': 'ligand_lib_url',
'cast': True,
'datatype': 'string',
'defaultValue': None,
'required': True,
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white',
'originalDatatype': 'None'
})
CreateLigandDBObj_8.addInputPort(
*(), **{
'singleConnection': True,
'name': 'log_file',
'cast': True,
'datatype': 'string',
'defaultValue': None,
'required': False,
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white',
'originalDatatype': 'None'
})
CreateLigandDBObj_8.addOutputPort(
*(), **{
'name': 'ligand_db_obj',
'datatype': 'LigandDB',
'height': 8,
'width': 12,
'shape': 'rect',
'color': '#FFCCFF'
})
code = """def doit(self, ligand_lib_url, log_file):
if log_file == None:
log_file = "ligand_lib_uploads.log"
log_file = os.path.abspath(log_file)
if log_file != None:
from time import strftime
now = strftime("%Y-%m-%d %H:%M:%S")
log_str = '''On ''' + now + ''', you uploaded a ligand library to: \n'''
log_str = log_str + ligand_lib_url + '''\n\n'''
f = open(log_file, '''a''')
f.write(log_str)
print "This ligand library upload has been recorded in " + log_file
from AutoDockTools.VisionInterface.Adt.LigandDB import LigandDB
ligand_db_obj = LigandDB(url_lib=ligand_lib_url)
pass
## to ouput data on port ligand_db_obj use
self.outputData(ligand_db_obj=ligand_db_obj)
"""
CreateLigandDBObj_8.configure(function=code)
CreateLigandDBObj_8.configure(
*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
except:
print(
"WARNING: failed to restore Generic named CreateLigandDBObj in network self.macroNetwork"
)
print_exc()
CreateLigandDBObj_8 = None
try:
## saving node get_paths ##
from Vision.StandardNodes import Generic
get_paths_9 = Generic(constrkw={},
name='get_paths',
library=stdlib)
self.macroNetwork.addNode(get_paths_9, 136, 105)
get_paths_9.addInputPort(
*(), **{
'singleConnection': True,
'name': 'directory',
'cast': True,
'datatype': 'string',
'defaultValue': None,
'required': True,
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white',
'originalDatatype': 'None'
})
get_paths_9.addInputPort(
*(), **{
'singleConnection': True,
'name': 'zip_name',
'cast': True,
'datatype': 'string',
'defaultValue': None,
'required': True,
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white',
'originalDatatype': 'None'
})
get_paths_9.addOutputPort(
*(), **{
'name': 'input_directory',
'datatype': 'string',
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white'
})
get_paths_9.addOutputPort(
*(), **{
'name': 'output_directory',
'datatype': 'string',
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white'
})
get_paths_9.addOutputPort(
*(), **{
'name': 'output_name',
'datatype': 'string',
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white'
})
get_paths_9.addOutputPort(
*(), **{
'name': 'output_basedir',
'datatype': 'string',
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white'
})
code = """def doit(self, directory, zip_name):
input_directory = os.path.abspath(directory)
if not(os.path.exists(input_directory)):
print "ERROR: ligand input directory " + input_directory + " does not exist"
return '''stop'''
output_directory = os.path.abspath('''.''')
output_name = zip_name
output_basedir = zip_name.rstrip('''.zip''')
pass
self.outputData(input_directory=input_directory, output_directory=output_directory, output_name=zip_name, output_basedir=output_basedir)
## to ouput data on port input_directory use
## self.outputData(input_directory=data)
## to ouput data on port output_directory use
## self.outputData(output_directory=data)
## to ouput data on port output_name use
## self.outputData(output_name=data)
## to ouput data on port output_basedir use
## self.outputData(output_basedir=data)
"""
get_paths_9.configure(function=code)
get_paths_9.configure(
*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
except:
print(
"WARNING: failed to restore Generic named get_paths in network self.macroNetwork"
)
print_exc()
get_paths_9 = None
#self.macroNetwork.run()
self.macroNetwork.freeze()
## saving connections for network LocalLigandDirectory ##
if Make_Zip_File_3 is not None and LigandDBUpload_kryptonite_nbcr_net_5 is not None:
try:
self.macroNetwork.connectNodes(
Make_Zip_File_3,
LigandDBUpload_kryptonite_nbcr_net_5,
"zipfile",
"userlib",
blocking=True,
splitratio=[0.67700056401206909, 0.41786522052018427])
except:
print(
"WARNING: failed to restore connection between Make_Zip_File_3 and LigandDBUpload_kryptonite_nbcr_net_5 in network self.macroNetwork"
)
if LigandDBUpload_kryptonite_nbcr_net_5 is not None and Index_6 is not None:
try:
self.macroNetwork.connectNodes(
LigandDBUpload_kryptonite_nbcr_net_5,
Index_6,
"result",
"data",
blocking=True,
splitratio=[0.27868065815947218, 0.69101010116597561])
except:
print(
"WARNING: failed to restore connection between LigandDBUpload_kryptonite_nbcr_net_5 and Index_6 in network self.macroNetwork"
)
if Index_6 is not None and ReplaceURL_7 is not None:
try:
self.macroNetwork.connectNodes(
Index_6,
ReplaceURL_7,
"data",
"url",
blocking=True,
splitratio=[0.0, 0.50910496731074983])
except:
print(
"WARNING: failed to restore connection between Index_6 and ReplaceURL_7 in network self.macroNetwork"
)
if ReplaceURL_7 is not None and CreateLigandDBObj_8 is not None:
try:
self.macroNetwork.connectNodes(
ReplaceURL_7,
CreateLigandDBObj_8,
"newurl",
"ligand_lib_url",
blocking=True,
splitratio=[0.7375258387145982, 0.34433018843468416])
except:
print(
"WARNING: failed to restore connection between ReplaceURL_7 and CreateLigandDBObj_8 in network self.macroNetwork"
)
output_Ports_2 = self.macroNetwork.opNode
if CreateLigandDBObj_8 is not None and output_Ports_2 is not None:
try:
self.macroNetwork.connectNodes(
CreateLigandDBObj_8,
output_Ports_2,
"ligand_db_obj",
"new",
blocking=True,
splitratio=[0.25450332220506922, 0.49254602433654382])
except:
print(
"WARNING: failed to restore connection between CreateLigandDBObj_8 and output_Ports_2 in network self.macroNetwork"
)
input_Ports_1 = self.macroNetwork.ipNode
if input_Ports_1 is not None and get_paths_9 is not None:
try:
self.macroNetwork.connectNodes(
input_Ports_1,
get_paths_9,
"new",
"directory",
blocking=True,
splitratio=[0.73592256661833422, 0.40050624233195609])
except:
print(
"WARNING: failed to restore connection between input_Ports_1 and get_paths_9 in network self.macroNetwork"
)
if Entry_4 is not None and get_paths_9 is not None:
try:
self.macroNetwork.connectNodes(
Entry_4,
get_paths_9,
"string",
"zip_name",
blocking=True,
splitratio=[0.74641701362897139, 0.56047721560743557])
except:
print(
"WARNING: failed to restore connection between Entry_4 and get_paths_9 in network self.macroNetwork"
)
if get_paths_9 is not None and Make_Zip_File_3 is not None:
try:
self.macroNetwork.connectNodes(
get_paths_9,
Make_Zip_File_3,
"input_directory",
"input_directory",
blocking=True,
splitratio=[0.24975092021298884, 0.59053364249853169])
except:
print(
"WARNING: failed to restore connection between get_paths_9 and Make_Zip_File_3 in network self.macroNetwork"
)
if get_paths_9 is not None and Make_Zip_File_3 is not None:
try:
self.macroNetwork.connectNodes(
get_paths_9,
Make_Zip_File_3,
"output_name",
"output_name",
blocking=True,
splitratio=[0.44934886807300634, 0.5145630699734256])
except:
print(
"WARNING: failed to restore connection between get_paths_9 and Make_Zip_File_3 in network self.macroNetwork"
)
if get_paths_9 is not None and Make_Zip_File_3 is not None:
try:
self.macroNetwork.connectNodes(
get_paths_9,
Make_Zip_File_3,
"output_directory",
"output_directory",
blocking=True,
splitratio=[0.65054191214838031, 0.31030412383438832])
except:
print(
"WARNING: failed to restore connection between get_paths_9 and Make_Zip_File_3 in network self.macroNetwork"
)
if get_paths_9 is not None and ReplaceURL_7 is not None:
try:
self.macroNetwork.connectNodes(
get_paths_9,
ReplaceURL_7,
"output_basedir",
"newfilename",
blocking=True,
splitratio=[0.5380996717918376, 0.39023381726820411])
except:
print(
"WARNING: failed to restore connection between get_paths_9 and ReplaceURL_7 in network self.macroNetwork"
)
if input_Ports_1 is not None and CreateLigandDBObj_8 is not None:
try:
self.macroNetwork.connectNodes(
input_Ports_1,
CreateLigandDBObj_8,
"new",
"log_file",
blocking=True,
splitratio=[0.49268182912115838, 0.67412763774649975])
except:
print(
"WARNING: failed to restore connection between input_Ports_1 and CreateLigandDBObj_8 in network self.macroNetwork"
)
if ReplaceURL_7 is not None and output_Ports_2 is not None:
try:
self.macroNetwork.connectNodes(
ReplaceURL_7,
output_Ports_2,
"newurl",
"new",
blocking=True,
splitratio=[0.67446600768034171, 0.74989471765767979])
except:
print(
"WARNING: failed to restore connection between ReplaceURL_7 and output_Ports_2 in network self.macroNetwork"
)
self.macroNetwork.runOnNewData.value = False
## modifying MacroInputNode dynamic ports
input_Ports_1 = self.macroNetwork.ipNode
input_Ports_1.outputPorts[1].configure(
name='Make_Zip_File_input_directory')
input_Ports_1.outputPorts[2].configure(
name='CreateLigandDBObj_log_file')
## modifying MacroOutputNode dynamic ports
output_Ports_2 = self.macroNetwork.opNode
output_Ports_2.inputPorts[1].configure(singleConnection='auto')
output_Ports_2.inputPorts[2].configure(singleConnection='auto')
output_Ports_2.inputPorts[1].configure(
name='CreateLigandDBObj_ligand_db_obj')
output_Ports_2.inputPorts[2].configure(name='ReplaceURL_newurl')
## configure MacroNode input ports
LocalLigandDirectory_0.inputPorts[0].configure(
name='Make_Zip_File_input_directory')
LocalLigandDirectory_0.inputPorts[0].configure(datatype='string')
LocalLigandDirectory_0.inputPorts[1].configure(
name='CreateLigandDBObj_log_file')
LocalLigandDirectory_0.inputPorts[1].configure(datatype='string')
## configure MacroNode output ports
LocalLigandDirectory_0.outputPorts[0].configure(
name='CreateLigandDBObj_ligand_db_obj')
LocalLigandDirectory_0.outputPorts[0].configure(datatype='LigandDB')
LocalLigandDirectory_0.outputPorts[1].configure(
name='ReplaceURL_newurl')
LocalLigandDirectory_0.outputPorts[1].configure(datatype='string')
LocalLigandDirectory_0.shrink()
## reset modifications ##
LocalLigandDirectory_0.resetTags()
LocalLigandDirectory_0.buildOriginalList()
def afterAddingToNetwork(self):
masterNet = self.macroNetwork
from NetworkEditor.macros import MacroNode
MacroNode.afterAddingToNetwork(self)
from WebServices.VisionInterface.WSNodes import wslib
from Vision.StandardNodes import stdlib
## building macro network ##
TrajQR_0 = self
from traceback import print_exc
from WebServices.VisionInterface.WSNodes import wslib
from Vision.StandardNodes import stdlib
masterNet.getEditor().addLibraryInstance(
wslib, "WebServices.VisionInterface.WSNodes", "wslib")
from WebServices.VisionInterface.WSNodes import addOpalServerAsCategory
try:
addOpalServerAsCategory("http://kryptonite.nbcr.net/opal2",
replace=False)
except:
pass
try:
## saving node input Ports ##
input_Ports_1 = self.macroNetwork.ipNode
input_Ports_1.configure(
*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
except:
print(
"WARNING: failed to restore MacroInputNode named input Ports in network self.macroNetwork"
)
print_exc()
input_Ports_1 = None
try:
## saving node output Ports ##
output_Ports_2 = self.macroNetwork.opNode
output_Ports_2.configure(
*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
output_Ports_2.move(183, 405)
except:
print(
"WARNING: failed to restore MacroOutputNode named output Ports in network self.macroNetwork"
)
print_exc()
output_Ports_2 = None
try:
## saving node Make_Zip_File ##
from Vision.StandardNodes import MakeZipFileNE
Make_Zip_File_3 = MakeZipFileNE(constrkw={},
name='Make_Zip_File',
library=stdlib)
self.macroNetwork.addNode(Make_Zip_File_3, 47, 75)
Make_Zip_File_3.inputPortByName['input_directory'].configure(
*(), **{'defaultValue': None})
Make_Zip_File_3.inputPortByName['output_directory'].configure(
*(), **{'defaultValue': None})
Make_Zip_File_3.inputPortByName['output_name'].configure(
*(), **{'defaultValue': None})
Make_Zip_File_3.configure(
*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
except:
print(
"WARNING: failed to restore MakeZipFileNE named Make_Zip_File in network self.macroNetwork"
)
print_exc()
Make_Zip_File_3 = None
try:
## saving node TrajQR_kryptonite_nbcr_net ##
from NetworkEditor.items import FunctionNode
TrajQR_kryptonite_nbcr_net_4 = FunctionNode(
functionOrString='TrajQR_kryptonite_nbcr_net',
host="http://kryptonite.nbcr.net/opal2",
namedArgs={
'license': False,
'rmsd': '',
'qh_filename': 'qh.tre',
'qr_filename': 'qr.out',
'compressed_pdbs': '',
'localRun': False,
'execPath': ''
},
constrkw={
'functionOrString': "'TrajQR_kryptonite_nbcr_net'",
'host': '"http://kryptonite.nbcr.net/opal2"',
'namedArgs': {
'license': False,
'rmsd': '',
'qh_filename': 'qh.tre',
'qr_filename': 'qr.out',
'compressed_pdbs': '',
'localRun': False,
'execPath': ''
}
},
name='TrajQR_kryptonite_nbcr_net',
library=wslib)
self.macroNetwork.addNode(TrajQR_kryptonite_nbcr_net_4, 279, 135)
TrajQR_kryptonite_nbcr_net_4.inputPortByName['license'].configure(
*(), **{'defaultValue': None})
TrajQR_kryptonite_nbcr_net_4.inputPortByName['rmsd'].configure(
*(), **{
'defaultValue': None,
'required': True
})
TrajQR_kryptonite_nbcr_net_4.inputPortByName[
'qh_filename'].configure(*(), **{'defaultValue': None})
TrajQR_kryptonite_nbcr_net_4.inputPortByName[
'qr_filename'].configure(*(), **{'defaultValue': None})
TrajQR_kryptonite_nbcr_net_4.inputPortByName[
'compressed_pdbs'].configure(
*(), **{
'defaultValue': None,
'required': True
})
TrajQR_kryptonite_nbcr_net_4.inputPortByName['localRun'].configure(
*(), **{'defaultValue': None})
TrajQR_kryptonite_nbcr_net_4.inputPortByName['execPath'].configure(
*(), **{'defaultValue': None})
TrajQR_kryptonite_nbcr_net_4.inputPortByName['license'].widget.set(
0, run=False)
TrajQR_kryptonite_nbcr_net_4.inputPortByName['rmsd'].rebindWidget()
TrajQR_kryptonite_nbcr_net_4.inputPortByName['rmsd'].widget.set(
r"", run=False)
TrajQR_kryptonite_nbcr_net_4.inputPortByName['rmsd'].unbindWidget()
TrajQR_kryptonite_nbcr_net_4.inputPortByName[
'qh_filename'].widget.set(r"qh.tre", run=False)
TrajQR_kryptonite_nbcr_net_4.inputPortByName[
'qr_filename'].widget.set(r"qr.out", run=False)
TrajQR_kryptonite_nbcr_net_4.inputPortByName[
'compressed_pdbs'].rebindWidget()
TrajQR_kryptonite_nbcr_net_4.inputPortByName[
'compressed_pdbs'].widget.set(r"", run=False)
TrajQR_kryptonite_nbcr_net_4.inputPortByName[
'compressed_pdbs'].unbindWidget()
TrajQR_kryptonite_nbcr_net_4.inputPortByName[
'localRun'].widget.set(0, run=False)
TrajQR_kryptonite_nbcr_net_4.inputPortByName[
'execPath'].widget.set(r"", run=False)
TrajQR_kryptonite_nbcr_net_4.configure(
*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
except:
print(
"WARNING: failed to restore FunctionNode named TrajQR_kryptonite_nbcr_net in network self.macroNetwork"
)
print_exc()
TrajQR_kryptonite_nbcr_net_4 = None
try:
## saving node SelectOnExtension ##
from Vision.StandardNodes import SelectOnExtension
SelectOnExtension_5 = SelectOnExtension(constrkw={},
name='SelectOnExtension',
library=stdlib)
self.macroNetwork.addNode(SelectOnExtension_5, 279, 192)
SelectOnExtension_5.inputPortByName['filenames'].configure(
*(), **{'defaultValue': None})
SelectOnExtension_5.inputPortByName['extension'].configure(
*(), **{'defaultValue': None})
SelectOnExtension_5.inputPortByName['extension'].widget.set(
r".out", run=False)
SelectOnExtension_5.configure(*(), **{'paramPanelImmediate': 1})
except:
print(
"WARNING: failed to restore SelectOnExtension named SelectOnExtension in network self.macroNetwork"
)
print_exc()
SelectOnExtension_5 = None
try:
## saving node Index ##
from Vision.StandardNodes import Index
Index_6 = Index(constrkw={}, name='Index', library=stdlib)
self.macroNetwork.addNode(Index_6, 123, 281)
Index_6.inputPortByName['data'].configure(
*(), **{
'datatype': 'list',
'defaultValue': None,
'originalDatatype': 'None'
})
Index_6.inputPortByName['index'].configure(
*(), **{'defaultValue': None})
Index_6.outputPortByName['data'].configure(
*(), **{'datatype': 'string'})
Index_6.inputPortByName['index'].widget.configure(
*(), **{
'max': 0,
'min': -1
})
Index_6.inputPortByName['index'].widget.set(0, run=False)
Index_6.configure(*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
except:
print(
"WARNING: failed to restore Index named Index in network self.macroNetwork"
)
print_exc()
Index_6 = None
try:
## saving node GetSelectedPDBs ##
from Vision.StandardNodes import Generic
GetSelectedPDBs_7 = Generic(constrkw={},
name='GetSelectedPDBs',
library=stdlib)
self.macroNetwork.addNode(GetSelectedPDBs_7, 200, 346)
GetSelectedPDBs_7.addInputPort(
*(), **{
'singleConnection': True,
'name': 'trajqr_url',
'cast': True,
'datatype': 'string',
'defaultValue': None,
'required': True,
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white',
'originalDatatype': 'None'
})
GetSelectedPDBs_7.addInputPort(
*(), **{
'singleConnection': True,
'name': 'pdb_in_dir',
'cast': True,
'datatype': 'string',
'defaultValue': None,
'required': True,
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white',
'originalDatatype': 'None'
})
GetSelectedPDBs_7.addInputPort(
*(), **{
'singleConnection': True,
'name': 'pdb_out_dir',
'cast': True,
'datatype': 'string',
'defaultValue': None,
'required': True,
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white',
'originalDatatype': 'None'
})
GetSelectedPDBs_7.addOutputPort(
*(), **{
'name': 'pdb_out_dir',
'datatype': 'string',
'height': 8,
'width': 12,
'shape': 'oval',
'color': 'white'
})
code = """def doit(self, trajqr_url, pdb_in_dir, pdb_out_dir):
pdb_in_dir = os.path.abspath(pdb_in_dir)
pdb_out_dir = os.path.abspath(pdb_out_dir)
import urllib
import shutil
pdb_list = []
f = urllib.urlopen(trajqr_url)
for i in f.readlines():
pdb_file = i.strip('''
''')+'''.pdb'''
infile = pdb_in_dir + os.sep + pdb_file
outfile = pdb_out_dir + os.sep + pdb_file
shutil.copyfile(infile, outfile)
f.close
pass
## to ouput data on port pdb_list use
self.outputData(pdb_out_dir=pdb_out_dir)
"""
GetSelectedPDBs_7.configure(function=code)
GetSelectedPDBs_7.configure(
*(), **{
'paramPanelImmediate': 1,
'expanded': False
})
except:
print(
"WARNING: failed to restore Generic named GetSelectedPDBs in network self.macroNetwork"
)
print_exc()
GetSelectedPDBs_7 = None
#self.macroNetwork.run()
self.macroNetwork.freeze()
## saving connections for network TrajQR ##
input_Ports_1 = self.macroNetwork.ipNode
if input_Ports_1 is not None and Make_Zip_File_3 is not None:
try:
self.macroNetwork.connectNodes(
input_Ports_1,
Make_Zip_File_3,
"new",
"input_directory",
blocking=True,
splitratio=[0.67469172328672133, 0.50941480178765064])
except:
print(
"WARNING: failed to restore connection between input_Ports_1 and Make_Zip_File_3 in network self.macroNetwork"
)
if input_Ports_1 is not None and TrajQR_kryptonite_nbcr_net_4 is not None:
try:
self.macroNetwork.connectNodes(
input_Ports_1,
TrajQR_kryptonite_nbcr_net_4,
"new",
"rmsd",
blocking=True,
splitratio=[0.45681934134493246, 0.33803410340720857])
except:
print(
"WARNING: failed to restore connection between input_Ports_1 and TrajQR_kryptonite_nbcr_net_4 in network self.macroNetwork"
)
if Make_Zip_File_3 is not None and TrajQR_kryptonite_nbcr_net_4 is not None:
try:
self.macroNetwork.connectNodes(
Make_Zip_File_3,
TrajQR_kryptonite_nbcr_net_4,
"zipfile",
"compressed_pdbs",
blocking=True,
splitratio=[0.71081093868178202, 0.43908686250860129])
except:
print(
"WARNING: failed to restore connection between Make_Zip_File_3 and TrajQR_kryptonite_nbcr_net_4 in network self.macroNetwork"
)
if TrajQR_kryptonite_nbcr_net_4 is not None and SelectOnExtension_5 is not None:
try:
self.macroNetwork.connectNodes(
TrajQR_kryptonite_nbcr_net_4,
SelectOnExtension_5,
"result",
"filenames",
blocking=True,
splitratio=[0.63533198718963335, 0.2560040659014205])
except:
print(
"WARNING: failed to restore connection between TrajQR_kryptonite_nbcr_net_4 and SelectOnExtension_5 in network self.macroNetwork"
)
if SelectOnExtension_5 is not None and Index_6 is not None:
try:
self.macroNetwork.connectNodes(
SelectOnExtension_5,
Index_6,
"matching",
"data",
blocking=True,
splitratio=[0.65832290589891362, 0.21624347250969889])
except:
print(
"WARNING: failed to restore connection between SelectOnExtension_5 and Index_6 in network self.macroNetwork"
)
if Index_6 is not None and GetSelectedPDBs_7 is not None:
try:
self.macroNetwork.connectNodes(
Index_6,
GetSelectedPDBs_7,
"data",
"trajqr_url",
blocking=True,
splitratio=[0.51754619993986595, 0.63949220525823236])
except:
print(
"WARNING: failed to restore connection between Index_6 and GetSelectedPDBs_7 in network self.macroNetwork"
)
if input_Ports_1 is not None and GetSelectedPDBs_7 is not None:
try:
self.macroNetwork.connectNodes(
input_Ports_1,
GetSelectedPDBs_7,
"Make_Zip_File_input_directory",
"pdb_in_dir",
blocking=True,
splitratio=[0.7121964126696847, 0.42697952864467786])
except:
print(
"WARNING: failed to restore connection between input_Ports_1 and GetSelectedPDBs_7 in network self.macroNetwork"
)
if input_Ports_1 is not None and GetSelectedPDBs_7 is not None:
try:
self.macroNetwork.connectNodes(
input_Ports_1,
GetSelectedPDBs_7,
"new",
"pdb_out_dir",
blocking=True,
splitratio=[0.62460995639428174, 0.60275185701976297])
except:
print(
"WARNING: failed to restore connection between input_Ports_1 and GetSelectedPDBs_7 in network self.macroNetwork"
)
output_Ports_2 = self.macroNetwork.opNode
if GetSelectedPDBs_7 is not None and output_Ports_2 is not None:
try:
self.macroNetwork.connectNodes(
GetSelectedPDBs_7,
output_Ports_2,
"pdb_out_dir",
"new",
blocking=True,
splitratio=[0.7431176169343523, 0.73697976585137526])
except:
print(
"WARNING: failed to restore connection between GetSelectedPDBs_7 and output_Ports_2 in network self.macroNetwork"
)
self.macroNetwork.runOnNewData.value = True
## modifying MacroInputNode dynamic ports
input_Ports_1 = self.macroNetwork.ipNode
input_Ports_1.outputPorts[1].configure(
name='Make_Zip_File_input_directory')
input_Ports_1.outputPorts[2].configure(
name='TrajQR_kryptonite_nbcr_net_rmsd')
input_Ports_1.outputPorts[3].configure(
name='GetSelectedPDBs_pdb_out_dir')
## modifying MacroOutputNode dynamic ports
output_Ports_2 = self.macroNetwork.opNode
output_Ports_2.inputPorts[1].configure(singleConnection='auto')
output_Ports_2.inputPorts[1].configure(
name='GetSelectedPDBs_pdb_out_dir')
## configure MacroNode input ports
TrajQR_0.inputPorts[0].configure(name='Make_Zip_File_input_directory')
TrajQR_0.inputPorts[0].configure(datatype='string')
TrajQR_0.inputPorts[1].configure(
name='TrajQR_kryptonite_nbcr_net_rmsd')
TrajQR_0.inputPorts[1].configure(datatype='string')
TrajQR_0.inputPorts[2].configure(name='GetSelectedPDBs_pdb_out_dir')
TrajQR_0.inputPorts[2].configure(datatype='string')
## configure MacroNode output ports
TrajQR_0.outputPorts[0].configure(name='GetSelectedPDBs_pdb_out_dir')
TrajQR_0.outputPorts[0].configure(datatype='string')
TrajQR_0.shrink()
## reset modifications ##
TrajQR_0.resetTags()
TrajQR_0.buildOriginalList()