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Scientific Software
MDANSE
Commits
5d93406d
Commit
5d93406d
authored
Jun 20, 2018
by
Remi Perenon
Browse files
Merge branch 'hotfix-get_type_of_opened_data_file_macos' into 'develop'
Hotfix get type of opened data file macos See merge request
!18
parents
217cd333
e24cacb5
Pipeline
#4016
passed with stages
in 17 minutes and 54 seconds
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CHANGELOG
View file @
5d93406d
version 1.2.0
--------------
version 1.1.2
--------------
* ADDED issue #15 An automatic mode for data loading is added to compel with the fact that data filter does not appear in data loading popup on macOS
version 1.1.1
--------------
* FIXED issue #14 Package name was not valid for debian package in 1.1.0 version
...
...
MDANSE/GUI/MainFrame.py
View file @
5d93406d
...
...
@@ -35,6 +35,7 @@ import os
import
sys
import
webbrowser
import
wx
import
wx.aui
as
aui
...
...
@@ -225,8 +226,20 @@ class MainFrame(wx.Frame):
self
.
Bind
(
wx
.
EVT_MENU
,
self
.
on_bug_report
,
bugButton
)
def
load_data
(
self
,
typ
,
filename
):
data
=
REGISTRY
[
"input_data"
][
typ
](
filename
)
if
typ
==
"automatic"
:
# if type is set on automatic, find data type
if
filename
[
-
4
:]
==
".mvi"
:
# File is mvi
typ
=
"molecular_viewer"
data
=
REGISTRY
[
"input_data"
][
"molecular_viewer"
](
filename
)
else
:
# File is either netcdf or mmtk
try
:
data
=
REGISTRY
[
"input_data"
][
"mmtk_trajectory"
](
filename
)
except
KeyError
:
data
=
REGISTRY
[
"input_data"
][
"netcdf_data"
](
filename
)
else
:
data
=
REGISTRY
[
"input_data"
][
typ
](
filename
)
DATA_CONTROLLER
[
data
.
filename
]
=
data
...
...
@@ -305,15 +318,18 @@ Authors:
def
on_load_data
(
self
,
event
=
None
):
wildcards
=
collections
.
OrderedDict
([
kls
.
_type
,
"%s (*.%s)|*.%s"
%
(
kls
.
_type
,
kls
.
extension
,
kls
.
extension
)]
for
kls
in
REGISTRY
[
"input_data"
].
values
()
if
kls
.
extension
is
not
None
)
dialog
=
wx
.
FileDialog
(
None
,
message
=
'Open data ...'
,
wildcard
=
"|"
.
join
(
wildcards
.
values
()),
style
=
wx
.
OPEN
)
dialog
=
wx
.
FileDialog
(
None
,
message
=
'Open data ...'
,
wildcard
=
"automatic (*.mvi,*.nc)|*.mvi;*.nc|"
+
"|"
.
join
(
wildcards
.
values
()),
style
=
wx
.
OPEN
)
if
dialog
.
ShowModal
()
==
wx
.
ID_CANCEL
:
return
""
idx
=
dialog
.
GetFilterIndex
()
dataType
=
wildcards
.
keys
()[
idx
]
# Check if automatic has been chosen
if
idx
<=
0
:
dataType
=
"automatic"
else
:
dataType
=
wildcards
.
keys
()[
idx
-
1
]
filename
=
dialog
.
GetPath
()
...
...
MDANSE/__pkginfo__.py
View file @
5d93406d
...
...
@@ -27,7 +27,7 @@ __license__ = "GPL 3"
__version__
=
"1.2.0"
__date__
=
"
14
-06-2018"
__date__
=
"
20
-06-2018"
__commit__
=
"undefined"
...
...
README.md
View file @
5d93406d
**MDANSE**
(
**M**
olecular
**D**
ynamics
**A**
nalysis for
**N**
eutron
**S**
cattering
**E**
xperiments) is a python application designed for computing properties that can be directly
**E**
xperiments)
MDANSE is a python application designed for computing properties that can be directly
compared with neutron scattering experiments such as the coherent and incoherent
intermediate scattering functions and their Fourier transforms, the elastic
incoherent structure factor, the static coherent structure factor or the radial
...
...
@@ -15,21 +17,23 @@ Python and currently works on Linux, MacOS and Windows.
MDANSE is developed and maintained by:
------
**Remi Perenon**
perenon[at]ill.fr
Computing for Science Group
Institut Laue Langevin
71 Avenue des Martyrs
38042 Grenoble
Computing for Science Group
Institut Laue Langevin
71 Avenue des Martyrs
38042 Grenoble
France
------
**Eric Pellegrini**
pellegrini[at]ill.fr
Computing for Science Group
Institut Laue Langevin
71 Avenue des Martyrs
38042 Grenoble
France
------
Computing for Science Group
Institut Laue Langevin
71 Avenue des Martyrs
38042 Grenoble
France
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