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#!/usr/bin/env python
import abinit
import numpy
import pygtk, gtk, gobject
import re, sys, os
import ElementTree
import v_sim
def delete_event(widget, event, data=None):
return False
def destroy(widget, data=None):
gtk.main_quit()
def loadData(widget, response_id, window):
if (response_id != gtk.RESPONSE_ACCEPT):
return
if (widget is not window.get_data("fileSel")):
widget.hide()
# Remove old columns.
view = window.get_data("treeview")
for col in view.get_columns()[1:]:
view.remove_column(col)
wd = window.get_data("hboxResults")
wd.set_sensitive(False)
window.set_data("dtsets", None)
v_sim.set(None)
# We parse the file.
try:
toto = abinit.Dtsets(widget.get_filename())
except Exception, err:
window.get_data("fileSel").unselect_all()
wd = gtk.MessageDialog(window, gtk.DIALOG_MODAL, gtk.MESSAGE_ERROR, gtk.BUTTONS_OK, err.msg)
wd.run()
wd.destroy()
return
window.set_data("dtsets", toto)
wd = window.get_data("hboxResults")
wd.set_sensitive(True)
# Create a new model.
args = "gtk.ListStore(gobject.TYPE_STRING"
for i in range(toto.get_ndtset()):
args += ", gobject.TYPE_STRING, gobject.TYPE_STRING"
args += ")"
model = eval(args)
modelFilter = model.filter_new()
window.set_data("model", model)
modelFilter.set_visible_func(hideCycleIter, window)
modelSort = gtk.TreeModelSort(modelFilter)
modelSort.set_sort_column_id(0, gtk.SORT_ASCENDING)
view.set_model(modelSort)
for strId in abinit.get_ids().iterkeys():
iter = model.append()
model.set(iter, 0, strId)
default = toto.get(strId, 0)
for i in range(toto.get_ndtset()):
val = toto.get(strId, i + 1)
if (numpy.all(val == default)):
misc = "#505050"
else:
misc = "blue"
if (val is None):
val = "<span size=\"smaller\"><i>Unsupported type</i></span>"
model.set(iter, 2 * i + 1, val.__str__(), 2 * i + 2, misc)
# Add the column to the tree view.
for i in range(1, toto.get_ndtset() + 1):
col = view.insert_column_with_attributes(-1, "Value dtset %d" % i, \
gtk.CellRendererText(), \
markup = 2 * i - 1, foreground = 2 * i)
col.set_resizable(True)
col.set_sort_column_id(i)
# Adapt the range for the spDtSets button.
window.get_data("spDtSets").set_range(1, toto.get_ndtset() + 1)
def renderDtSet(widget, window):
dtset = window.get_data("dtsets")
iSet = int(window.get_data("spDtSets").get_value())
znucl = dtset.get("znucl", iSet)
pop = {}
eles = []
for i in znucl:
ele = v_sim.element(int(i))
pop[ele] = 0
eles.append(ele)
print pop
typat = dtset.get("typat", iSet)
for i in typat:
pop[eles[i - 1]] += 1
data = v_sim.data()
data.setPopulation(pop)
rprimd = dtset.get("rprimd_orig", iSet)
coord = dtset.get("xred_orig", iSet)
i = 0
for xyz in coord:
c = (rprimd[0][0] * xyz[0] + rprimd[0][1] * xyz[1] + rprimd[0][2] * xyz[2], \
rprimd[1][0] * xyz[0] + rprimd[1][1] * xyz[1] + rprimd[1][2] * xyz[2], \
rprimd[2][0] * xyz[0] + rprimd[2][1] * xyz[1] + rprimd[2][2] * xyz[2])
data.addNode(eles[typat[i] - 1], c)
i += 1
box = rprimd.tolist()
data.setBox((tuple(box[0]), tuple(box[1]), tuple(box[2])), True)
v_sim.set(data)
def hideCycleIter(model, iter, window):
(strId,) = model.get(iter, 0)
if (strId is None):
return False
if (window.get_data("hideDefault").get_active()):
dtsets = window.get_data("dtsets")
hide = True
for i in range(dtsets.get_ndtset()):
(color,) = model.get(iter, 2 * i + 2)
hide = hide and (color != "blue")
else:
hide = False
return (not(hide) and re.match(window.get_data("filter"), strId) is not None)
def applyFilter(widget, window, entry):
patStr = entry.get_text()
if (patStr[-1] != "$"):
patStr += "$"
pat = re.compile(patStr)
if (pat is not None):
window.set_data("filter", pat)
window.get_data("treeview").get_model().get_model().refilter()
def applyHide(widget, window):
window.get_data("treeview").get_model().get_model().refilter()
def withArg(argv, window):
fileSel = window.get_data("fileSel")
fileSel.set_filename(os.path.abspath(sys.argv[1]))
while (gtk.events_pending()):
gtk.main_iteration()
if (fileSel.get_filename() is not None):
loadData(fileSel, gtk.RESPONSE_ACCEPT, window)
else:
raise ValueError("No file '%s'." % os.path.abspath(sys.argv[1]))
return False
def XMLGetText(var):
if (var is None):
return ""
if (var.text is not None):
text = var.text.strip().replace("\n", " ") + " "
else:
text = ""
for child in var.getchildren():
if (child.tag == "p"):
text += XMLGetText(child) + "\n"
elif (child.tag == "ul"):
text += "\n" + XMLGetText(child)
elif (child.tag == "li"):
text += " * " + XMLGetText(child) + "\n"
elif (child.tag == "br"):
text += "\n"
else:
text += XMLGetText(child)
if (var.tail is not None):
text += var.tail.strip().replace("\n", " ") + " "
return re.sub(" *", " ", text)
def selectAtt(selection, window):
(model, iter) = selection.get_selected()
if (iter is None):
return
iSets = []
(att,) = model.get(iter, 0)
window.get_data("lblKeyword").set_markup("<b>" + att + "</b>")
window.get_data("lblMnemonic").set_markup("")
window.get_data("lblCategory").set_markup("")
window.get_data("lblType").set_markup("")
window.get_data("lblDefault").set_markup("")
window.get_data("description").set_text("")
varlist = window.get_data("varlist")
for var in varlist:
if (var.find("keyword").text == att):
window.get_data("lblMnemonic").set_markup(XMLGetText(var.find("mnemonics")))
window.get_data("lblCategory").set_markup(XMLGetText(var.find("categories")))
window.get_data("lblType").set_markup(XMLGetText(var.find("type")))
window.get_data("lblDefault").set_markup(XMLGetText(var.find("default")))
window.get_data("description").set_text(XMLGetText(var.find("description")))
break
if __name__ == "__main__":
window = gtk.Window(gtk.WINDOW_TOPLEVEL)
window.set_border_width(5)
window.connect("delete_event", delete_event)
window.connect("destroy", destroy)
vbox = gtk.VBox()
window.add(vbox)
hbox = gtk.HBox()
vbox.pack_start(hbox, False, False, 5)
wd = gtk.Label("<b>Analysing data file:</b>")
wd.set_use_markup(True)
wd.set_alignment(0., 0.5)
wd.set_padding(10, 0)
hbox.pack_start(wd, False, False, 0)
wd = gtk.FileChooserDialog(title = "Choose an ABINIT data file", \
buttons = (gtk.STOCK_CANCEL, gtk.RESPONSE_REJECT,
gtk.STOCK_OPEN, gtk.RESPONSE_ACCEPT))
wd.connect("response", loadData, window)
fileSel = gtk.FileChooserButton(wd)
window.set_data("fileSel", fileSel)
hbox.pack_start(fileSel, True, True, 5)
hbox = gtk.VPaned()
hbox.set_sensitive(False)
window.set_data("hboxResults", hbox)
vbox.pack_start(hbox, True, True, 0)
wd = gtk.VBox()
hbox.pack1(wd, True, False)
scroll = gtk.ScrolledWindow()
scroll.set_policy(gtk.POLICY_AUTOMATIC, gtk.POLICY_AUTOMATIC)
scroll.set_shadow_type(gtk.SHADOW_ETCHED_OUT)
wd.pack_start(scroll, True, True, 0)
view = gtk.TreeView()
wd.set_size_request(-1, 400)
view.set_rules_hint(True)
view.set_grid_lines(gtk.TREE_VIEW_GRID_LINES_VERTICAL)
view.get_selection().set_mode(gtk.SELECTION_SINGLE)
view.get_selection().connect("changed", selectAtt, window)
window.set_data("treeview", view)
scroll.add(view)
col = view.insert_column_with_attributes(-1, "Attribute", \
gtk.CellRendererText(), \
markup=0)
col.set_sort_column_id(0)
hbox2 = gtk.HBox()
wd.pack_start(hbox2, False, False, 0)
entry = gtk.Entry()
entry.set_text(".*")
window.set_data("filter", re.compile(".*"))
entry.connect("activate", applyFilter, window, entry)
bt1 = gtk.Button(label="Filter")
bt1.connect("clicked", applyFilter, window, entry)
bt2 = gtk.ToggleButton(label="Hide defaults")
bt2.connect("toggled", applyHide, window)
window.set_data("hideDefault", bt2)
hbox2.pack_end(bt2, False, False, 0)
hbox2.pack_end(bt1, False, False, 0)
hbox2.pack_end(entry, False, False, 0)
pane = gtk.HPaned()
hbox.pack2(pane, True, True)
render = v_sim.main(width=400, height=400)
pane.pack2(render, True, True)
table = gtk.Table(6, 4)
table.set_row_spacings(10);
align = gtk.Alignment(xalign=1)
table.attach(align, 0, 4, 5, 6, yoptions = gtk.SHRINK, xoptions = gtk.FILL | gtk.EXPAND, ypadding=5)
wd = gtk.HBox()
align.add(wd)
lb = gtk.Label("Render dtset:")
wd.pack_start(lb, False, False, 0)
sp = gtk.SpinButton()
window.set_data("spDtSets", sp)
wd.pack_start(sp, False, False, 0)
bt = gtk.Button(stock = gtk.STOCK_GO_FORWARD)
bt.connect("clicked", renderDtSet, window)
wd.pack_start(bt, False, False, 10)
pane.pack1(table, True, False)
wd = gtk.Label("<i>Keyword:</i>")
wd.set_use_markup(True)
wd.set_alignment(1., 0.5)
table.attach(wd, 0, 1, 0, 1, xoptions = gtk.SHRINK | gtk.FILL, yoptions = gtk.SHRINK)
wd = gtk.Label("")
wd.set_alignment(0., 0.5)
table.attach(wd, 1, 2, 0, 1, yoptions = gtk.SHRINK, xpadding = 5)
window.set_data("lblKeyword", wd)
wd = gtk.Label("<i>Mnemonic:</i>")
wd.set_use_markup(True)
wd.set_alignment(1., 0.5)
table.attach(wd, 2, 3, 0, 1, xoptions = gtk.SHRINK | gtk.FILL, yoptions = gtk.SHRINK)
wd = gtk.Label("")
wd.set_line_wrap(True)
wd.set_alignment(0., 0.5)
table.attach(wd, 3, 4, 0, 1, yoptions = gtk.SHRINK, xpadding = 5)
window.set_data("lblMnemonic", wd)
wd = gtk.Label("<i>Found in:</i>")
wd.set_use_markup(True)
wd.set_alignment(1., 0.5)
table.attach(wd, 0, 1, 1, 2, xoptions = gtk.SHRINK | gtk.FILL, yoptions = gtk.SHRINK)
wd = gtk.Label("")
wd.set_alignment(0., 0.5)
table.attach(wd, 1, 2, 1, 2, yoptions = gtk.SHRINK, xpadding = 5)
window.set_data("lblFound", wd)
wd = gtk.Label("<i>Category:</i>")
wd.set_use_markup(True)
wd.set_alignment(1., 0.5)
table.attach(wd, 2, 3, 1, 2, xoptions = gtk.SHRINK | gtk.FILL, yoptions = gtk.SHRINK)
wd = gtk.Label("")
wd.set_alignment(0., 0.5)
table.attach(wd, 3, 4, 1, 2, yoptions = gtk.SHRINK, xpadding = 5)
window.set_data("lblCategory", wd)
wd = gtk.Label("<i>Type:</i>")
wd.set_use_markup(True)
wd.set_alignment(1., 0.5)
table.attach(wd, 0, 1, 2, 3, xoptions = gtk.SHRINK | gtk.FILL, yoptions = gtk.SHRINK)
wd = gtk.Label("")
wd.set_line_wrap(True)
wd.set_alignment(0., 0.5)
table.attach(wd, 1, 2, 2, 3, yoptions = gtk.SHRINK, xpadding = 5)
window.set_data("lblType", wd)
wd = gtk.Label("<i>Default:</i>")
wd.set_use_markup(True)
wd.set_alignment(1., 0.5)
table.attach(wd, 2, 3, 2, 3, xoptions = gtk.SHRINK | gtk.FILL, yoptions = gtk.SHRINK)
wd = gtk.Label("")
wd.set_line_wrap(True)
wd.set_alignment(0., 0.5)
table.attach(wd, 3, 4, 2, 3, yoptions = gtk.SHRINK, xpadding = 5)
window.set_data("lblDefault", wd)
wd = gtk.Label("<i>Description:</i>")
wd.set_use_markup(True)
wd.set_alignment(1., 0.5)
table.attach(wd, 0, 1, 3, 4, gtk.SHRINK | gtk.FILL, yoptions = gtk.SHRINK)
scroll = gtk.ScrolledWindow()
scroll.set_policy(gtk.POLICY_NEVER, gtk.POLICY_AUTOMATIC)
scroll.set_shadow_type(gtk.SHADOW_ETCHED_OUT)
table.attach(scroll, 0, 4, 4, 5, xpadding = 5)
buf = gtk.TextBuffer()
window.set_data("description", buf)
wd = gtk.TextView(buf)
wd.set_editable(False)
wd.set_wrap_mode(gtk.WRAP_WORD)
wd.set_size_request(400, -1)
scroll.add(wd)
window.show_all()
if (len(sys.argv) > 1):
gobject.idle_add(withArg, sys.argv, window)
# We parse the variable defs.
varlist = ElementTree.parse("varlists.xml").findall("list/variable")
window.set_data("varlist", varlist)
gtk.main()
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