add flag for partial fits; closes #83

src/gui_qt/data/container.py

@@ -33,6 +33,7 @@ class ExperimentContainer(QtCore.QObject):
         self.id = str(identifier)
 
         self._fits = []
+        self._relations = kwargs.get('relations', {})
         self._data = data
         self._manager = kwargs.get('manager')
         self.graph = ''
@@ -228,6 +229,8 @@ class ExperimentContainer(QtCore.QObject):
         return self.plot_real, self.plot_imag, self.plot_error
 
     def get_state(self):
+        # TODO preserve relationships
+
         ret_dic = {
             'id': self.id,
             'data': self._data.get_state(),
@@ -269,6 +272,32 @@ class ExperimentContainer(QtCore.QObject):
         else:
             self._fits.extend(value)
 
+    def has_relation(self, relation_type):
+        return relation_type in self._relations
+
+    def get_relation(self, relation_type: int):
+        return self._relations.get(relation_type, [])
+
+    def add_relation(self, relation_type: int, value: str):
+        if relation_type not in self._relations:
+            self._relations[relation_type] = []
+
+        self._relations[relation_type].append(value)
+
+    def remove_relation(self, relation_type: int, value: str):
+        if relation_type not in self._relations:
+            raise ValueError(f'Relationship {relation_type!r} with id {value!r} doe not exist for {self.name}')
+
+        related_id_value = self._relations[relation_type]
+
+        idx = related_id_value.index(value)
+        if idx == -1:
+            raise ValueError(f'Relationship {relation_type!r} with id {value!r} doe not exist for {self.name}')
+
+        related_id_value.pop(idx)
+        if len(related_id_value) == 0:
+            self._relations.pop(relation_type)
+
     def _update_actions(self):
         self.actions.update({'sort': self._data.sort,
                              'cut': self._data.cut,

src/gui_qt/data/datawidget/datawidget.py

@@ -5,7 +5,7 @@ from nmreval.lib.colors import available_cycles
 from .properties import PropWidget
 from ...Qt import QtWidgets, QtGui, QtCore
 from ..._py.datawidget import Ui_DataWidget
-from ...lib import make_action_icons
+from ...lib.iconloading import make_action_icons
 from ...lib.delegates import HeaderDelegate
 
 

src/gui_qt/fit/fit_forms.py

@@ -5,7 +5,7 @@ from nmreval.utils.text import convert
 from ..Qt import QtCore, QtWidgets, QtGui
 from .._py.fitmodelwidget import Ui_FitParameter
 from .._py.save_fitmodel_dialog import Ui_SaveDialog
-from ..lib import get_icon
+from ..lib.iconloading import get_icon
 
 
 class FitModelWidget(QtWidgets.QWidget, Ui_FitParameter):

src/gui_qt/fit/fitfunction.py

@@ -8,7 +8,7 @@ from nmreval.lib.importer import find_models
 from nmreval.lib.colors import BaseColor, Tab10
 from nmreval.utils.text import convert
 
-from ..lib import get_icon
+from ..lib.iconloading import get_icon
 from .._py.fitfunctionwidget import Ui_Form
 from ..Qt import QtWidgets, QtCore, QtGui
 

src/gui_qt/fit/fitwindow.py

@@ -13,6 +13,7 @@ from nmreval.fit.result import FitResult
 
 from .fit_forms import FitTableWidget
 from .fit_parameter import QFitParameterWidget
+from ..lib import Relations
 from ..lib.pg_objects import PlotItem
 from ..Qt import QtGui, QtCore, QtWidgets
 from .._py.fitdialog import Ui_FitDialog
@@ -147,7 +148,7 @@ class QFitDialog(QtWidgets.QWidget, Ui_FitDialog):
         # deselect all fit sets
         for i in range(self.data_table.rowCount()):
             data_id = self.data_table.item(i, 0).data(QtCore.Qt.UserRole+1)
-            if self._management[data_id].mode == 'fit':
+            if self._management[data_id].mode == 'fit' or self._management[data_id].has_relation(Relations.isFitPartOf):
                 self.data_table.item(i, 0).setCheckState(QtCore.Qt.Unchecked)
 
         if self.models:

src/gui_qt/graphs/graphwindow.py

@@ -18,7 +18,7 @@ from ..io.filedialog import FileDialog
 from ..lib.pg_objects import LegendItemBlock, RegionItem
 from ..Qt import QtCore, QtWidgets, QtGui
 from .._py.graph import Ui_GraphWindow
-from ..lib import make_action_icons
+from ..lib.iconloading import make_action_icons
 from ..lib.configurations import GraceMsgBox
 
 

src/gui_qt/lib/__init__.py

@@ -1,80 +1 @@
-import sys
+from .enums import Relations
-
-if sys.version_info < (3, 7):
-    HAS_IMPORTLIB_RESOURCE = False
-    from pkg_resources import resource_filename
-else:
-    HAS_IMPORTLIB_RESOURCE = True
-    from importlib.resources import path
-
-from ..Qt import QtGui, QtWidgets
-
-
-# def get_path_importlib(package, resource):
-#     return path(package, resource)
-#
-#
-# def _get_path_pkg(package, resource):
-#     return resource_filename(package, resource)
-#
-#
-# if HAS_IMPORTLIB_RESOURCE:
-#     get_path = get_path_importlib
-# else:
-#     get_path = _get_path_pkg
-
-
-def make_action_icons(widget):
-    global HAS_IMPORTLIB_RESOURCE
-    icon_type = QtWidgets.QApplication.instance().theme
-    from json import loads
-
-    if HAS_IMPORTLIB_RESOURCE:
-        with path('resources.icons', 'icons.json') as fp:
-            with fp.open('r') as f:
-                icon_list = loads(f.read())
-                
-        for ac, img in icon_list[widget.objectName()].items():
-            dirname = 'resources.icons.%s_light' % icon_type
-            with path(dirname, img+'.png') as imgpath:
-                icon = QtGui.QIcon()
-                icon.addPixmap(QtGui.QPixmap(str(imgpath)), QtGui.QIcon.Normal, QtGui.QIcon.Off)
-                getattr(widget, ac).setIcon(icon)
-
-    else:
-        with open(resource_filename('resources.icons', 'icons.json'), 'r') as f:
-            icon_list = loads(f.read())
-
-        for ac, img in icon_list[widget.objectName()].items():
-            dirname = 'resources.icons.%s_light' % icon_type
-            imgpath = resource_filename(dirname, img+'.png')
-            icon = QtGui.QIcon()
-            icon.addPixmap(QtGui.QPixmap(str(imgpath)), QtGui.QIcon.Normal, QtGui.QIcon.Off)
-            getattr(widget, ac).setIcon(icon)
-
-
-def get_icon(icon_name):
-    try:
-        icon_type = QtWidgets.QApplication.instance().theme
-    except AttributeError:
-        icon_type = 'normal'
-
-    global HAS_IMPORTLIB_RESOURCE
-
-    if icon_name != 'logo':
-        dirname = f'resources.icons.{icon_type}_light'
-    else:
-        dirname = 'resources.icons'
-
-    if HAS_IMPORTLIB_RESOURCE:
-        with path(dirname, icon_name+'.png') as imgpath:
-            icon = QtGui.QIcon()
-            icon.addPixmap(QtGui.QPixmap(str(imgpath)), QtGui.QIcon.Normal, QtGui.QIcon.Off)
-
-            return icon
-    else:
-        imgpath = resource_filename(dirname, icon_name+'.png')
-        icon = QtGui.QIcon()
-        icon.addPixmap(QtGui.QPixmap(imgpath), QtGui.QIcon.Normal, QtGui.QIcon.Off)
-
-        return icon

src/gui_qt/lib/enums.py

@@ -0,0 +1,8 @@
+from enum import IntEnum, auto
+
+
+class Relations(IntEnum):
+    isFitOf = auto()
+    hasFit = auto()
+    isFitPartOf = auto()
+    hasFitPart = auto()

src/gui_qt/lib/iconloading.py

@@ -0,0 +1,66 @@
+import sys
+
+if sys.version_info < (3, 7):
+    HAS_IMPORTLIB_RESOURCE = False
+    from pkg_resources import resource_filename
+else:
+    HAS_IMPORTLIB_RESOURCE = True
+    from importlib.resources import path
+
+from ..Qt import QtGui, QtWidgets
+
+
+def make_action_icons(widget):
+    global HAS_IMPORTLIB_RESOURCE
+    icon_type = QtWidgets.QApplication.instance().theme
+    from json import loads
+
+    if HAS_IMPORTLIB_RESOURCE:
+        with path('resources.icons', 'icons.json') as fp:
+            with fp.open('r') as f:
+                icon_list = loads(f.read())
+
+        for ac, img in icon_list[widget.objectName()].items():
+            dirname = 'resources.icons.%s_light' % icon_type
+            with path(dirname, img+'.png') as imgpath:
+                icon = QtGui.QIcon()
+                icon.addPixmap(QtGui.QPixmap(str(imgpath)), QtGui.QIcon.Normal, QtGui.QIcon.Off)
+                getattr(widget, ac).setIcon(icon)
+
+    else:
+        with open(resource_filename('resources.icons', 'icons.json'), 'r') as f:
+            icon_list = loads(f.read())
+
+        for ac, img in icon_list[widget.objectName()].items():
+            dirname = 'resources.icons.%s_light' % icon_type
+            imgpath = resource_filename(dirname, img+'.png')
+            icon = QtGui.QIcon()
+            icon.addPixmap(QtGui.QPixmap(str(imgpath)), QtGui.QIcon.Normal, QtGui.QIcon.Off)
+            getattr(widget, ac).setIcon(icon)
+
+
+def get_icon(icon_name):
+    try:
+        icon_type = QtWidgets.QApplication.instance().theme
+    except AttributeError:
+        icon_type = 'normal'
+
+    global HAS_IMPORTLIB_RESOURCE
+
+    if icon_name != 'logo':
+        dirname = f'resources.icons.{icon_type}_light'
+    else:
+        dirname = 'resources.icons'
+
+    if HAS_IMPORTLIB_RESOURCE:
+        with path(dirname, icon_name+'.png') as imgpath:
+            icon = QtGui.QIcon()
+            icon.addPixmap(QtGui.QPixmap(str(imgpath)), QtGui.QIcon.Normal, QtGui.QIcon.Off)
+
+            return icon
+    else:
+        imgpath = resource_filename(dirname, icon_name+'.png')
+        icon = QtGui.QIcon()
+        icon.addPixmap(QtGui.QPixmap(imgpath), QtGui.QIcon.Normal, QtGui.QIcon.Off)
+
+        return icon

src/gui_qt/lib/styles.py

@@ -1,4 +1,4 @@
-from . import HAS_IMPORTLIB_RESOURCE
+from .iconloading import HAS_IMPORTLIB_RESOURCE
 from ..Qt import QtGui, QtWidgets, QtCore
 
 

src/gui_qt/lib/undos.py

@@ -4,6 +4,7 @@ import copy
 
 from numpy import argsort
 
+from . import Relations
 from ..Qt import QtWidgets, QtCore
 from ..data.container import FitContainer
 from ..graphs.graphwindow import QGraphWindow
@@ -242,7 +243,14 @@ class DeleteCommand(QtWidgets.QUndoCommand):
 
             if isinstance(val, FitContainer):
                 try:
-                    self.__container[sid].fitted_key._fits.remove(sid)
+                    self.__container[val.fitted_key]._fits.remove(sid)
+                except KeyError:
+                    pass
+
+            for (flag1, flag2) in ((Relations.isFitPartOf, Relations.hasFitPart), (Relations.hasFitPart, Relations.isFitPartOf)):
+                for related_item in val.get_relation(flag1):
+                    try:
+                        self.__container[related_item].remove_relation(flag2, sid)
                     except KeyError:
                         pass
 
@@ -264,6 +272,13 @@ class DeleteCommand(QtWidgets.QUndoCommand):
                 except KeyError:
                     pass
 
+            for (flag1, flag2) in (('isFitPartOf', 'hasFitPartOf'), ('hasFitPartOf', 'isFitPartOf')):
+                for related_item in val.get_relation(flag1):
+                    try:
+                        self.__container[related_item].add_relation(flag2, sid)
+                    except KeyError:
+                        pass
+
         self.__signal_add.emit(list(self.__keys), self.__graph_key)
 
         self.__graph_container[self.__graph_key].block(False)

src/gui_qt/main/mainwindow.py

@@ -22,7 +22,7 @@ from ..graphs.graphwindow import QGraphWindow
 from ..graphs.movedialog import QMover
 from ..io.fcbatchreader import QFCReader
 from ..io.filedialog import *
-from ..lib import get_icon, make_action_icons
+from ..lib.iconloading import make_action_icons, get_icon
 from ..lib.pg_objects import RegionItem
 from ..lib.starter import make_starter
 from ..math.binning import BinningWindow

src/gui_qt/main/management.py

@@ -18,6 +18,7 @@ from nmreval.math.smooth import smooth
 from nmreval.nmr.relaxation import Relaxation
 
 from ..Qt import QtCore, QtWidgets
+from ..lib import Relations
 from ..lib.undos import *
 from ..data.container import *
 from ..io.filereaders import QFileReader
@@ -585,6 +586,9 @@ class UpperManagement(QtCore.QObject):
                         subfunc.name += data_name
                         sub_f_id = self.add(subfunc, color=col, linestyle=LineStyle.Dashed, symbol=SymbolStyle.No)
 
+                        self[sub_f_id].add_relation(Relations.isFitPartOf, f_id)
+                        self[f_id].add_relation(Relations.hasFitPart, sub_f_id)
+
                         f_id_list.append(sub_f_id)
             gid = data_k.graph
         self.delete_sets(tobedeleted)