Commit c67e4126 authored by eric pellegrini's avatar eric pellegrini
Browse files

The job plugin can now be plugged into the viewer or on the data plugin

The DataInfoPlugin is now OK
Bug fix with pubsub.sendMessage wrong keyword
Improved the AtomListSelectionDialog
Removed unuseful pubsub calls from the molecular viewer
parent 9e9c7fe1
...@@ -67,7 +67,7 @@ class AngularCorrelation(IJob): ...@@ -67,7 +67,7 @@ class AngularCorrelation(IJob):
category = ('Dynamics',) category = ('Dynamics',)
ancestor = "mmtk_trajectory" ancestor = ["mmtk_trajectory"]
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['trajectory'] = ('mmtk_trajectory',{}) settings['trajectory'] = ('mmtk_trajectory',{})
......
...@@ -56,7 +56,7 @@ class AreaPerMolecule(IJob): ...@@ -56,7 +56,7 @@ class AreaPerMolecule(IJob):
category = ('Structure',) category = ('Structure',)
ancestor = "mmtk_trajectory" ancestor = ["mmtk_trajectory"]
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['trajectory'] = ('mmtk_trajectory',{'default':os.path.join('..','..','..','Data','Trajectories','MMTK','dmpc_in_periodic_universe.nc')}) settings['trajectory'] = ('mmtk_trajectory',{'default':os.path.join('..','..','..','Data','Trajectories','MMTK','dmpc_in_periodic_universe.nc')})
......
...@@ -53,7 +53,7 @@ class BoxCenteredTrajectory(IJob): ...@@ -53,7 +53,7 @@ class BoxCenteredTrajectory(IJob):
category = ('Trajectory',) category = ('Trajectory',)
ancestor = "mmtk_trajectory" ancestor = ["mmtk_trajectory"]
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['trajectory'] = ('mmtk_trajectory',{}) settings['trajectory'] = ('mmtk_trajectory',{})
......
...@@ -51,7 +51,7 @@ class CenterOfMassesTrajectory(IJob): ...@@ -51,7 +51,7 @@ class CenterOfMassesTrajectory(IJob):
category = ('Trajectory',) category = ('Trajectory',)
ancestor = "mmtk_trajectory" ancestor = ["mmtk_trajectory"]
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['trajectory'] = ('mmtk_trajectory',{}) settings['trajectory'] = ('mmtk_trajectory',{})
......
...@@ -43,4 +43,4 @@ class CHARMMConverter(DCDConverter): ...@@ -43,4 +43,4 @@ class CHARMMConverter(DCDConverter):
category = ('Converters',) category = ('Converters',)
ancestor = None ancestor = []
\ No newline at end of file \ No newline at end of file
...@@ -143,7 +143,7 @@ class CASTEPConverter(Converter): ...@@ -143,7 +143,7 @@ class CASTEPConverter(Converter):
category = ('Converters',) category = ('Converters',)
ancestor = None ancestor = []
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['castep_file'] = ('input_file', {'default':os.path.join('..','..','..','Data','Trajectories','CASTEP','PBAnew.md')}) settings['castep_file'] = ('input_file', {'default':os.path.join('..','..','..','Data','Trajectories','CASTEP','PBAnew.md')})
......
...@@ -291,7 +291,7 @@ class DL_POLYConverter(Converter): ...@@ -291,7 +291,7 @@ class DL_POLYConverter(Converter):
category = ('Converters',) category = ('Converters',)
ancestor = None ancestor = []
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['field_file'] = ('input_file',{'wildcard':"FIELD files|FIELD*|All files|*", settings['field_file'] = ('input_file',{'wildcard':"FIELD files|FIELD*|All files|*",
......
...@@ -233,7 +233,7 @@ class DiscoverConverter(Converter): ...@@ -233,7 +233,7 @@ class DiscoverConverter(Converter):
category = ('Converters','Materials Studio') category = ('Converters','Materials Studio')
ancestor = None ancestor = []
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['xtd_file'] = ('input_file',{'default':os.path.join('..','..','..','Data','Trajectories','Discover','sushi.xtd')}) settings['xtd_file'] = ('input_file',{'default':os.path.join('..','..','..','Data','Trajectories','Discover','sushi.xtd')})
......
...@@ -283,7 +283,7 @@ class ForciteConverter(Converter): ...@@ -283,7 +283,7 @@ class ForciteConverter(Converter):
category = ('Converters','Materials Studio') category = ('Converters','Materials Studio')
ancestor = None ancestor = []
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['xtd_file'] = ('input_file',{'default':os.path.join('..','..','..','Data','Trajectories','Forcite','nylon66_rho100_500K_v300K.xtd')}) settings['xtd_file'] = ('input_file',{'default':os.path.join('..','..','..','Data','Trajectories','Forcite','nylon66_rho100_500K_v300K.xtd')})
......
...@@ -167,7 +167,7 @@ class GenericConverter(Converter): ...@@ -167,7 +167,7 @@ class GenericConverter(Converter):
category = ('Converters',) category = ('Converters',)
ancestor = None ancestor = []
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['gt_file'] = ('input_file',{'wildcard':"Generic trajectory files|*.gtf|All files|*", settings['gt_file'] = ('input_file',{'wildcard':"Generic trajectory files|*.gtf|All files|*",
......
...@@ -126,7 +126,7 @@ class LAMMPSConverter(Converter): ...@@ -126,7 +126,7 @@ class LAMMPSConverter(Converter):
category = ('Converters',) category = ('Converters',)
ancestor = None ancestor = []
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['config_file'] = ('input_file', {'label':"LAMMPS configuration file", settings['config_file'] = ('input_file', {'label':"LAMMPS configuration file",
......
...@@ -43,4 +43,4 @@ class NAMDConverter(DCDConverter): ...@@ -43,4 +43,4 @@ class NAMDConverter(DCDConverter):
category = ('Converters',) category = ('Converters',)
ancestor = None ancestor = []
\ No newline at end of file \ No newline at end of file
...@@ -49,7 +49,7 @@ class PDBConverter(Converter): ...@@ -49,7 +49,7 @@ class PDBConverter(Converter):
category = ('Converters',) category = ('Converters',)
ancestor = None ancestor = []
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['pdb_file'] = ('input_file',{'default':os.path.join('..','..','..','Data','Trajectories','PDB','2f58_nma.pdb')}) settings['pdb_file'] = ('input_file',{'default':os.path.join('..','..','..','Data','Trajectories','PDB','2f58_nma.pdb')})
......
...@@ -126,7 +126,7 @@ class VASPConverter(Converter): ...@@ -126,7 +126,7 @@ class VASPConverter(Converter):
category = ('Converters',) category = ('Converters',)
ancestor = None ancestor = []
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['xdatcar_file'] = ('input_file',{'default':os.path.join('..','..','..','Data','Trajectories','VASP','XDATCAR_version5')}) settings['xdatcar_file'] = ('input_file',{'default':os.path.join('..','..','..','Data','Trajectories','VASP','XDATCAR_version5')})
......
...@@ -43,4 +43,4 @@ class XPLORConverter(DCDConverter): ...@@ -43,4 +43,4 @@ class XPLORConverter(DCDConverter):
category = ('Converters',) category = ('Converters',)
ancestor = None ancestor = []
\ No newline at end of file \ No newline at end of file
...@@ -48,7 +48,7 @@ class CoordinationNumber(DistanceHistogram): ...@@ -48,7 +48,7 @@ class CoordinationNumber(DistanceHistogram):
category = ('Structure',) category = ('Structure',)
ancestor = "mmtk_trajectory" ancestor = ["mmtk_trajectory"]
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['trajectory'] = ('mmtk_trajectory',{}) settings['trajectory'] = ('mmtk_trajectory',{})
......
...@@ -49,7 +49,7 @@ class CroppedTrajectory(IJob): ...@@ -49,7 +49,7 @@ class CroppedTrajectory(IJob):
category = ('Trajectory',) category = ('Trajectory',)
ancestor = "mmtk_trajectory" ancestor = ["mmtk_trajectory"]
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['trajectory'] = ('mmtk_trajectory',{}) settings['trajectory'] = ('mmtk_trajectory',{})
......
...@@ -56,7 +56,7 @@ class CurrentCorrelationFunction(IJob): ...@@ -56,7 +56,7 @@ class CurrentCorrelationFunction(IJob):
category = ('Scattering',) category = ('Scattering',)
ancestor = "mmtk_trajectory" ancestor = ["mmtk_trajectory"]
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['trajectory'] = ('mmtk_trajectory',{}) settings['trajectory'] = ('mmtk_trajectory',{})
......
...@@ -47,7 +47,7 @@ class Density(IJob): ...@@ -47,7 +47,7 @@ class Density(IJob):
category = ('Thermodynamics',) category = ('Thermodynamics',)
ancestor = "mmtk_trajectory" ancestor = ["mmtk_trajectory"]
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['trajectory'] = ('mmtk_trajectory',{}) settings['trajectory'] = ('mmtk_trajectory',{})
......
...@@ -51,7 +51,7 @@ class DensityOfStates(IJob): ...@@ -51,7 +51,7 @@ class DensityOfStates(IJob):
category = ('Dynamics',) category = ('Dynamics',)
ancestor = "mmtk_trajectory" ancestor = ["mmtk_trajectory"]
settings = collections.OrderedDict() settings = collections.OrderedDict()
settings['trajectory'] = ('mmtk_trajectory',{}) settings['trajectory'] = ('mmtk_trajectory',{})
......
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