dev #283
@ -17,7 +17,7 @@ class DataTree(QtWidgets.QTreeWidget):
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moveItem = QtCore.pyqtSignal(list, str, str, int) # items, from, to, new row
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moveItem = QtCore.pyqtSignal(list, str, str, int) # items, from, to, new row
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copyItem = QtCore.pyqtSignal(list, str)
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copyItem = QtCore.pyqtSignal(list, str)
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saveFits = QtCore.pyqtSignal(list)
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saveFits = QtCore.pyqtSignal(list)
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extendFits = QtCore.pyqtSignal(list)
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extendFits = QtCore.pyqtSignal(list, bool)
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# noinspection PyUnresolvedReferences
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# noinspection PyUnresolvedReferences
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def __init__(self, parent=None):
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def __init__(self, parent=None):
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@ -465,7 +465,7 @@ class DataTree(QtWidgets.QTreeWidget):
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del_action = menu.addAction('Exterminate sets')
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del_action = menu.addAction('Exterminate sets')
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cp_action = menu.addAction('Replicate sets')
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cp_action = menu.addAction('Replicate sets')
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cat_action = menu.addAction('Join us!')
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cat_action = menu.addAction('Join us!')
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plt_action = save_action = extend_action = None
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plt_action = save_action = extend_action = subfit_action = None
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menu.addSeparator()
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menu.addSeparator()
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col_menu = menu.addMenu('Color cycle')
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col_menu = menu.addMenu('Color cycle')
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for c in available_cycles.keys():
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for c in available_cycles.keys():
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@ -497,6 +497,7 @@ class DataTree(QtWidgets.QTreeWidget):
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plt_action = menu.addAction('Plot fit parameter')
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plt_action = menu.addAction('Plot fit parameter')
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save_action = menu.addAction('Save fit parameter')
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save_action = menu.addAction('Save fit parameter')
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extend_action = menu.addAction('Extrapolate fit')
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extend_action = menu.addAction('Extrapolate fit')
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subfit_action = menu.addAction('Plot partial functions')
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action = menu.exec(evt.globalPos())
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action = menu.exec(evt.globalPos())
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@ -504,6 +505,9 @@ class DataTree(QtWidgets.QTreeWidget):
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for gid, sets in idx.items():
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for gid, sets in idx.items():
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s.extend(sets)
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s.extend(sets)
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if action is None:
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return
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if action == del_action:
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if action == del_action:
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self.management.delete_sets(s)
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self.management.delete_sets(s)
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@ -521,7 +525,10 @@ class DataTree(QtWidgets.QTreeWidget):
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self.saveFits.emit(s)
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self.saveFits.emit(s)
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elif action == extend_action:
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elif action == extend_action:
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self.extendFits.emit(s)
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self.extendFits.emit(s, False)
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elif action == subfit_action:
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self.extendFits.emit(s, True)
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elif action.parent() == col_menu:
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elif action.parent() == col_menu:
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self.management.set_cycle(s, action.text())
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self.management.set_cycle(s, action.text())
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@ -10,7 +10,7 @@ class FitToolbar(QtWidgets.QToolBar):
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limit_menu: QtWidgets.QMenu,
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limit_menu: QtWidgets.QMenu,
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parent=None,
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parent=None,
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):
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):
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super().__init__(parent=parent)
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super().__init__('Fit', parent=parent)
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self.fit_action = fitaction
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self.fit_action = fitaction
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self.region = RegionItem()
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self.region = RegionItem()
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@ -991,15 +991,19 @@ class NMRMainWindow(QtWidgets.QMainWindow, Ui_BaseWindow):
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self.editor.setWindowModality(QtCore.Qt.WindowModality.ApplicationModal)
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self.editor.setWindowModality(QtCore.Qt.WindowModality.ApplicationModal)
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self.editor.show()
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self.editor.show()
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@QtCore.pyqtSlot(list)
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@QtCore.pyqtSlot(list, bool)
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def extend_fit(self, sets: list):
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def extend_fit(self, sets: list, only_subplots: bool):
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if only_subplots:
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self.management.extend_fits(sets, None, True)
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return
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w = FitExtension(self)
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w = FitExtension(self)
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res = w.exec()
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res = w.exec()
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if res:
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if res:
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p = w.values
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p = w.values
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spacefunc = geomspace if p[3] else linspace
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spacefunc = geomspace if p[3] else linspace
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x = spacefunc(p[0], p[1], num=p[2])
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x = spacefunc(p[0], p[1], num=p[2])
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self.management.extend_fits(sets, x)
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self.management.extend_fits(sets, x, False)
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@QtCore.pyqtSlot(name='on_action_create_fit_function_triggered')
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@QtCore.pyqtSlot(name='on_action_create_fit_function_triggered')
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def open_fitmodel_wizard(self):
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def open_fitmodel_wizard(self):
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@ -711,16 +711,20 @@ class UpperManagement(QtCore.QObject):
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self.newData.emit(f_id_list, gid)
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self.newData.emit(f_id_list, gid)
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def extend_fits(self, set_id: list, x_range: np.ndarray):
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def extend_fits(self, set_id: list, x_range: np.ndarray | None, only_subplots: bool):
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graphs = {}
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graphs = {}
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for sid in set_id:
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for sid in set_id:
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data = self[sid]
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data = fit = self[sid]
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fit = data.copy(full=True, keep_color=True)
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fit.data = fit.data.with_new_x(x_range)
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graph_id = data.graph
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graph_id = data.graph
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if graph_id not in graphs:
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if graph_id not in graphs:
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graphs[graph_id] = []
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graphs[graph_id] = []
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if not only_subplots:
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fit = data.copy(full=True, keep_color=True)
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if x_range is not None:
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fit.data = fit.data.with_new_x(x_range)
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graphs[graph_id].append(self.add(fit))
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graphs[graph_id].append(self.add(fit))
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color_scheme = available_cycles['colorblind']
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color_scheme = available_cycles['colorblind']
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@ -3,7 +3,12 @@ from ctypes import c_double, cast, pointer, c_void_p
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import numpy as np
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import numpy as np
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from scipy import LowLevelCallable
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from scipy import LowLevelCallable
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from scipy.integrate import quad, simps as simpson
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from scipy.integrate import quad
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try:
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from scipy.integrate import simps as simpson
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except ImportError:
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from scipy.integrate import simpson
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from .base import Distribution
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from .base import Distribution
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from ..lib.utils import ArrayLike
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from ..lib.utils import ArrayLike
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Loading…
Reference in New Issue
Block a user