dev #283

Merged
dominik merged 11 commits from dev into master 2024-07-16 17:01:21 +00:00
5 changed files with 33 additions and 13 deletions

View File

@ -17,7 +17,7 @@ class DataTree(QtWidgets.QTreeWidget):
moveItem = QtCore.pyqtSignal(list, str, str, int) # items, from, to, new row moveItem = QtCore.pyqtSignal(list, str, str, int) # items, from, to, new row
copyItem = QtCore.pyqtSignal(list, str) copyItem = QtCore.pyqtSignal(list, str)
saveFits = QtCore.pyqtSignal(list) saveFits = QtCore.pyqtSignal(list)
extendFits = QtCore.pyqtSignal(list) extendFits = QtCore.pyqtSignal(list, bool)
# noinspection PyUnresolvedReferences # noinspection PyUnresolvedReferences
def __init__(self, parent=None): def __init__(self, parent=None):
@ -465,7 +465,7 @@ class DataTree(QtWidgets.QTreeWidget):
del_action = menu.addAction('Exterminate sets') del_action = menu.addAction('Exterminate sets')
cp_action = menu.addAction('Replicate sets') cp_action = menu.addAction('Replicate sets')
cat_action = menu.addAction('Join us!') cat_action = menu.addAction('Join us!')
plt_action = save_action = extend_action = None plt_action = save_action = extend_action = subfit_action = None
menu.addSeparator() menu.addSeparator()
col_menu = menu.addMenu('Color cycle') col_menu = menu.addMenu('Color cycle')
for c in available_cycles.keys(): for c in available_cycles.keys():
@ -497,6 +497,7 @@ class DataTree(QtWidgets.QTreeWidget):
plt_action = menu.addAction('Plot fit parameter') plt_action = menu.addAction('Plot fit parameter')
save_action = menu.addAction('Save fit parameter') save_action = menu.addAction('Save fit parameter')
extend_action = menu.addAction('Extrapolate fit') extend_action = menu.addAction('Extrapolate fit')
subfit_action = menu.addAction('Plot partial functions')
action = menu.exec(evt.globalPos()) action = menu.exec(evt.globalPos())
@ -504,6 +505,9 @@ class DataTree(QtWidgets.QTreeWidget):
for gid, sets in idx.items(): for gid, sets in idx.items():
s.extend(sets) s.extend(sets)
if action is None:
return
if action == del_action: if action == del_action:
self.management.delete_sets(s) self.management.delete_sets(s)
@ -521,7 +525,10 @@ class DataTree(QtWidgets.QTreeWidget):
self.saveFits.emit(s) self.saveFits.emit(s)
elif action == extend_action: elif action == extend_action:
self.extendFits.emit(s) self.extendFits.emit(s, False)
elif action == subfit_action:
self.extendFits.emit(s, True)
elif action.parent() == col_menu: elif action.parent() == col_menu:
self.management.set_cycle(s, action.text()) self.management.set_cycle(s, action.text())

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@ -10,7 +10,7 @@ class FitToolbar(QtWidgets.QToolBar):
limit_menu: QtWidgets.QMenu, limit_menu: QtWidgets.QMenu,
parent=None, parent=None,
): ):
super().__init__(parent=parent) super().__init__('Fit', parent=parent)
self.fit_action = fitaction self.fit_action = fitaction
self.region = RegionItem() self.region = RegionItem()

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@ -991,15 +991,19 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
self.editor.setWindowModality(QtCore.Qt.WindowModality.ApplicationModal) self.editor.setWindowModality(QtCore.Qt.WindowModality.ApplicationModal)
self.editor.show() self.editor.show()
@QtCore.pyqtSlot(list) @QtCore.pyqtSlot(list, bool)
def extend_fit(self, sets: list): def extend_fit(self, sets: list, only_subplots: bool):
if only_subplots:
self.management.extend_fits(sets, None, True)
return
w = FitExtension(self) w = FitExtension(self)
res = w.exec() res = w.exec()
if res: if res:
p = w.values p = w.values
spacefunc = geomspace if p[3] else linspace spacefunc = geomspace if p[3] else linspace
x = spacefunc(p[0], p[1], num=p[2]) x = spacefunc(p[0], p[1], num=p[2])
self.management.extend_fits(sets, x) self.management.extend_fits(sets, x, False)
@QtCore.pyqtSlot(name='on_action_create_fit_function_triggered') @QtCore.pyqtSlot(name='on_action_create_fit_function_triggered')
def open_fitmodel_wizard(self): def open_fitmodel_wizard(self):

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@ -711,16 +711,20 @@ class UpperManagement(QtCore.QObject):
self.newData.emit(f_id_list, gid) self.newData.emit(f_id_list, gid)
def extend_fits(self, set_id: list, x_range: np.ndarray): def extend_fits(self, set_id: list, x_range: np.ndarray | None, only_subplots: bool):
graphs = {} graphs = {}
for sid in set_id: for sid in set_id:
data = self[sid] data = fit = self[sid]
fit = data.copy(full=True, keep_color=True)
fit.data = fit.data.with_new_x(x_range)
graph_id = data.graph graph_id = data.graph
if graph_id not in graphs: if graph_id not in graphs:
graphs[graph_id] = [] graphs[graph_id] = []
if not only_subplots:
fit = data.copy(full=True, keep_color=True)
if x_range is not None:
fit.data = fit.data.with_new_x(x_range)
graphs[graph_id].append(self.add(fit)) graphs[graph_id].append(self.add(fit))
color_scheme = available_cycles['colorblind'] color_scheme = available_cycles['colorblind']

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@ -3,7 +3,12 @@ from ctypes import c_double, cast, pointer, c_void_p
import numpy as np import numpy as np
from scipy import LowLevelCallable from scipy import LowLevelCallable
from scipy.integrate import quad, simps as simpson
from scipy.integrate import quad
try:
from scipy.integrate import simps as simpson
except ImportError:
from scipy.integrate import simpson
from .base import Distribution from .base import Distribution
from ..lib.utils import ArrayLike from ..lib.utils import ArrayLike