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Scientific Software
MDANSE
Commits
0efc02a7
Commit
0efc02a7
authored
Sep 18, 2015
by
eric pellegrini
Browse files
Rename module and assocaited classes
parent
d2b02537
Changes
19
Show whitespace changes
Inline
Side-by-side
MDANSE/Framework/Configurators/AtomSelectionConfigurator.py
View file @
0efc02a7
...
...
@@ -35,7 +35,7 @@ import operator
import
numpy
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
from
MDANSE.Framework.Configurators.IConfigurator
import
IConfigurator
from
MDANSE.Framework.AtomSelectionParser
import
AtomSelectionParser
...
...
MDANSE/Framework/Configurators/AtomTransmutationConfigurator.py
View file @
0efc02a7
...
...
@@ -31,7 +31,7 @@ Created on Mar 30, 2015
'''
from
MDANSE
import
ELEMENTS
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
from
MDANSE.Framework.Configurators.IConfigurator
import
IConfigurator
,
ConfiguratorError
from
MDANSE.Framework.AtomSelectionParser
import
AtomSelectionParser
...
...
MDANSE/Framework/Configurators/AtomsListConfigurator.py
View file @
0efc02a7
...
...
@@ -30,7 +30,7 @@ Created on Mar 30, 2015
:author: Eric C. Pellegrini
'''
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
from
MDANSE.Framework.Configurators.IConfigurator
import
IConfigurator
from
MDANSE.MolecularDynamics.Trajectory
import
find_atoms_in_molecule
...
...
MDANSE/Framework/Configurators/AxisSelectionConfigurator.py
View file @
0efc02a7
...
...
@@ -30,7 +30,7 @@ Created on Mar 30, 2015
:author: Bachir Aoun and Eric C. Pellegrini
'''
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
from
MDANSE.Framework.Configurators.IConfigurator
import
IConfigurator
from
MDANSE.MolecularDynamics.Trajectory
import
find_atoms_in_molecule
...
...
MDANSE/Framework/Configurators/BasisSelectionConfigurator.py
View file @
0efc02a7
...
...
@@ -30,7 +30,7 @@ Created on Mar 30, 2015
:author: Bachir Aoun and Eric C. Pellegrini
'''
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
from
MDANSE.Framework.Configurators.IConfigurator
import
IConfigurator
from
MDANSE.MolecularDynamics.Trajectory
import
find_atoms_in_molecule
...
...
MDANSE/Framework/Configurators/PartialChargeConfigurator.py
View file @
0efc02a7
...
...
@@ -33,7 +33,7 @@ Created on Jun 9, 2015
import
os
from
MDANSE.Framework.Configurators.IConfigurator
import
IConfigurator
,
ConfiguratorError
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
class
PartialChargeConfigurator
(
IConfigurator
):
"""
...
...
MDANSE/Framework/Configurators/QVectorsConfigurator.py
View file @
0efc02a7
...
...
@@ -31,7 +31,7 @@ Created on May 22, 2015
'''
from
MDANSE
import
REGISTRY
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
from
MDANSE.Framework.Configurators.IConfigurator
import
IConfigurator
,
ConfiguratorError
class
QVectorsConfigurator
(
IConfigurator
):
...
...
MDANSE/Framework/Plugins/AtomSelectionPlugin.py
View file @
0efc02a7
...
...
@@ -40,7 +40,7 @@ from MDANSE import LOGGER, REGISTRY
from
MDANSE.Externals.pubsub
import
pub
from
MDANSE.Framework.AtomSelectionParser
import
AtomSelectionParser
,
AtomSelectionParserError
from
MDANSE.Framework.Plugins.DataPlugin
import
get_data_plugin
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinition
s
Plugin
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinitionPlugin
from
MDANSE.MolecularDynamics.Trajectory
import
sorted_atoms
class
Query
(
object
):
...
...
@@ -149,7 +149,7 @@ class Query(object):
self
.
_parser
=
parser
class
AtomSelectionPlugin
(
UserDefinition
s
Plugin
):
class
AtomSelectionPlugin
(
UserDefinitionPlugin
):
type
=
'atom_selection'
...
...
@@ -167,7 +167,7 @@ class AtomSelectionPlugin(UserDefinitionsPlugin):
pub
.
subscribe
(
self
.
msg_select_atoms_from_viewer
,
'msg_select_atoms_from_viewer'
)
UserDefinition
s
Plugin
.
__init__
(
self
,
parent
,
size
=
(
800
,
500
))
UserDefinitionPlugin
.
__init__
(
self
,
parent
,
size
=
(
800
,
500
))
def
build_panel
(
self
):
...
...
MDANSE/Framework/Plugins/AtomsListPlugin.py
View file @
0efc02a7
...
...
@@ -36,7 +36,7 @@ import wx
import
wx.aui
as
wxaui
from
MDANSE
import
LOGGER
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinition
s
Plugin
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinitionPlugin
from
MDANSE.MolecularDynamics.Trajectory
import
find_atoms_in_molecule
,
get_chemical_objects_dict
class
AtomNameDropTarget
(
wx
.
TextDropTarget
):
...
...
@@ -69,7 +69,7 @@ class AtomNameDropTarget(wx.TextDropTarget):
self
.
_atoms
.
Append
([
data
])
class
AtomsListPlugin
(
UserDefinition
s
Plugin
):
class
AtomsListPlugin
(
UserDefinitionPlugin
):
type
=
'atoms_list'
...
...
@@ -87,7 +87,7 @@ class AtomsListPlugin(UserDefinitionsPlugin):
self
.
_selection
=
[]
UserDefinition
s
Plugin
.
__init__
(
self
,
parent
,
size
=
(
800
,
500
))
UserDefinitionPlugin
.
__init__
(
self
,
parent
,
size
=
(
800
,
500
))
def
build_panel
(
self
):
...
...
MDANSE/Framework/Plugins/PartialChargesPlugin.py
View file @
0efc02a7
...
...
@@ -38,9 +38,9 @@ import wx.aui as wxaui
import
wx.grid
as
wxgrid
from
MDANSE
import
LOGGER
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinition
s
Plugin
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinitionPlugin
class
PartialChargesPlugin
(
UserDefinition
s
Plugin
):
class
PartialChargesPlugin
(
UserDefinitionPlugin
):
type
=
'partial_charges'
...
...
@@ -54,7 +54,7 @@ class PartialChargesPlugin(UserDefinitionsPlugin):
self
.
_selectedAtoms
=
[]
UserDefinition
s
Plugin
.
__init__
(
self
,
parent
)
UserDefinitionPlugin
.
__init__
(
self
,
parent
)
def
build_panel
(
self
):
...
...
MDANSE/Framework/Plugins/QVectorsPlugin.py
View file @
0efc02a7
...
...
@@ -38,7 +38,7 @@ import wx.grid as wxgrid
from
wx.lib.delayedresult
import
startWorker
from
MDANSE
import
LOGGER
,
REGISTRY
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinition
s
Plugin
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinitionPlugin
from
MDANSE.GUI.ComboWidgets.ConfigurationPanel
import
ConfigurationPanel
from
MDANSE.GUI.ComboWidgets.ProgressBar
import
ProgressBar
...
...
@@ -151,7 +151,7 @@ class QVectorsPanel(wx.Panel):
return
self
.
_progress
class
QVectorsPlugin
(
UserDefinition
s
Plugin
):
class
QVectorsPlugin
(
UserDefinitionPlugin
):
type
=
'q_vectors'
...
...
@@ -165,7 +165,7 @@ class QVectorsPlugin(UserDefinitionsPlugin):
self
.
_value
=
None
UserDefinition
s
Plugin
.
__init__
(
self
,
parent
,
size
=
(
800
,
700
))
UserDefinitionPlugin
.
__init__
(
self
,
parent
,
size
=
(
800
,
700
))
def
build_panel
(
self
):
...
...
MDANSE/Framework/UserDefinition
s
Store.py
→
MDANSE/Framework/UserDefinitionStore.py
View file @
0efc02a7
...
...
@@ -5,11 +5,11 @@ from MDANSE import PLATFORM
from
MDANSE.Core.Error
import
Error
from
MDANSE.Core.Singleton
import
Singleton
class
UserDefinition
s
StoreError
(
Error
):
class
UserDefinitionStoreError
(
Error
):
pass
class
UserDefinition
s
Store
(
dict
):
class
UserDefinitionStore
(
dict
):
'''
This class is used to register, save and delete MDANSE user definitions (a.k.a. UD).
...
...
@@ -34,12 +34,12 @@ class UserDefinitionsStore(dict):
Load the user definitions.
'''
if
not
os
.
path
.
exists
(
UserDefinition
s
Store
.
UD_PATH
):
if
not
os
.
path
.
exists
(
UserDefinitionStore
.
UD_PATH
):
return
# Try to open the UD file.
try
:
f
=
open
(
UserDefinition
s
Store
.
UD_PATH
,
"rb"
)
f
=
open
(
UserDefinitionStore
.
UD_PATH
,
"rb"
)
UD
=
cPickle
.
load
(
f
)
# If for whatever reason the pickle file loading failed do not even try to restore it
...
...
@@ -59,7 +59,7 @@ class UserDefinitionsStore(dict):
'''
try
:
f
=
open
(
UserDefinition
s
Store
.
UD_PATH
,
"wb"
)
f
=
open
(
UserDefinitionStore
.
UD_PATH
,
"wb"
)
except
IOError
:
return
else
:
...
...
@@ -75,7 +75,7 @@ class UserDefinitionsStore(dict):
'''
if
not
self
.
has_definition
(
target
,
section
,
name
):
raise
UserDefinition
s
StoreError
(
'The item %r could not be found'
%
(
target
,
section
,
name
))
raise
UserDefinitionStoreError
(
'The item %r could not be found'
%
(
target
,
section
,
name
))
ud
=
self
[
target
][
section
][
name
]
...
...
@@ -99,7 +99,7 @@ class UserDefinitionsStore(dict):
def
set_definition
(
self
,
target
,
section
,
name
,
value
):
if
self
.
has_definition
(
target
,
section
,
name
):
raise
UserDefinition
s
StoreError
(
'Item %s is already registered as an user definition. You must delete it before setting it.'
%
(
target
,
section
,
name
))
raise
UserDefinitionStoreError
(
'Item %s is already registered as an user definition. You must delete it before setting it.'
%
(
target
,
section
,
name
))
self
.
setdefault
(
target
,{}).
setdefault
(
section
,{})[
name
]
=
value
...
...
@@ -128,4 +128,4 @@ class UserDefinitionsStore(dict):
return
self
[
target
][
section
].
has_key
(
name
)
UD_STORE
=
UserDefinition
s
Store
()
UD_STORE
=
UserDefinitionStore
()
MDANSE/Framework/Widgets/AtomSelectionWidget.py
View file @
0efc02a7
...
...
@@ -35,8 +35,8 @@ import os
import
wx
from
MDANSE.Externals.pubsub
import
pub
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinition
s
Dialog
,
UserDefinitionWidget
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinitionDialog
,
UserDefinitionWidget
from
MDANSE.GUI.Icons
import
ICONS
class
AtomSelectionWidget
(
UserDefinitionWidget
):
...
...
@@ -152,7 +152,7 @@ if __name__ == "__main__":
app
=
wx
.
App
(
False
)
p
=
UserDefinition
s
Dialog
(
None
,
t
,
'atoms_list'
)
p
=
UserDefinitionDialog
(
None
,
t
,
'atoms_list'
)
p
.
SetSize
((
800
,
800
))
...
...
MDANSE/Framework/Widgets/AtomTransmutationWidget.py
View file @
0efc02a7
...
...
@@ -34,7 +34,7 @@ import wx
from
MDANSE
import
ELEMENTS
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
from
MDANSE.Framework.Widgets.AtomSelectionWidget
import
AtomSelectionWidget
from
MDANSE.GUI.Icons
import
ICONS
...
...
MDANSE/Framework/Widgets/AtomsListWidget.py
View file @
0efc02a7
...
...
@@ -30,8 +30,8 @@ Created on Jun 30, 2015
:author: Eric C. Pellegrini
'''
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinitionWidget
,
UserDefinition
s
Dialog
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinitionWidget
,
UserDefinitionDialog
class
AtomListWidget
(
UserDefinitionWidget
):
...
...
@@ -39,7 +39,7 @@ class AtomListWidget(UserDefinitionWidget):
def
on_new_user_definition
(
self
,
event
):
dlg
=
UserDefinition
s
Dialog
(
self
,
self
.
_trajectory
,
self
.
type
)
dlg
=
UserDefinitionDialog
(
self
,
self
.
_trajectory
,
self
.
type
)
dlg
.
plugin
.
set_natoms
(
self
.
_configurator
.
_nAtoms
)
...
...
MDANSE/Framework/Widgets/PartialChargesWidget.py
View file @
0efc02a7
...
...
@@ -34,7 +34,7 @@ import os
import
wx
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinition
s
Dialog
,
UserDefinitionWidget
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinitionDialog
,
UserDefinitionWidget
class
PartialChargesWidget
(
UserDefinitionWidget
):
...
...
@@ -50,7 +50,7 @@ if __name__ == "__main__":
app
=
wx
.
App
(
False
)
p
=
UserDefinition
s
Dialog
(
None
,
t
,
'partial_charges'
)
p
=
UserDefinitionDialog
(
None
,
t
,
'partial_charges'
)
p
.
SetSize
((
800
,
800
))
...
...
MDANSE/Framework/Widgets/QVectorsWidget.py
View file @
0efc02a7
...
...
@@ -34,7 +34,7 @@ import os
import
wx
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinition
s
Dialog
,
UserDefinitionWidget
from
MDANSE.Framework.Widgets.UserDefinitionWidget
import
UserDefinitionDialog
,
UserDefinitionWidget
class
QVectorsWidget
(
UserDefinitionWidget
):
...
...
@@ -50,7 +50,7 @@ if __name__ == "__main__":
app
=
wx
.
App
(
False
)
p
=
UserDefinition
s
Dialog
(
None
,
t
,
'q_vectors'
)
p
=
UserDefinitionDialog
(
None
,
t
,
'q_vectors'
)
p
.
SetSize
((
800
,
800
))
...
...
MDANSE/Framework/Widgets/UserDefinitionWidget.py
View file @
0efc02a7
...
...
@@ -39,11 +39,11 @@ import wx.aui as wxaui
from
MDANSE
import
LOGGER
,
REGISTRY
from
MDANSE.Externals.pubsub
import
pub
from
MDANSE.Framework.Plugins.ComponentPlugin
import
ComponentPlugin
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
from
MDANSE.Framework.Widgets.IWidget
import
IWidget
from
MDANSE.GUI
import
DATA_CONTROLLER
class
UserDefinition
s
Dialog
(
wx
.
Dialog
):
class
UserDefinitionDialog
(
wx
.
Dialog
):
def
__init__
(
self
,
parent
,
trajectory
,
udType
,
*
args
,
**
kwargs
):
...
...
@@ -114,7 +114,7 @@ class UserDefinitionWidget(IWidget):
def
on_new_definition
(
self
,
event
):
dlg
=
UserDefinition
s
Dialog
(
None
,
self
.
_trajectory
,
self
.
type
)
dlg
=
UserDefinitionDialog
(
None
,
self
.
_trajectory
,
self
.
type
)
dlg
.
ShowModal
()
...
...
@@ -138,7 +138,7 @@ class UserDefinitionWidget(IWidget):
self
.
_availableUDs
.
SetItems
(
uds
)
class
UserDefinition
s
Plugin
(
ComponentPlugin
):
class
UserDefinitionPlugin
(
ComponentPlugin
):
category
=
(
'User definition'
,)
...
...
MDANSE/GUI/UserDefinitionViewer.py
View file @
0efc02a7
...
...
@@ -34,7 +34,7 @@ import wx
from
MDANSE
import
LOGGER
from
MDANSE.Externals.pubsub
import
pub
from
MDANSE.Framework.UserDefinition
s
Store
import
UD_STORE
from
MDANSE.Framework.UserDefinitionStore
import
UD_STORE
class
UserDefinitionViewer
(
wx
.
Frame
):
...
...
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