hacky solution to have correct tuda colors in agr file; closes #63

src/gui_qt/io/exporters.py

@@ -55,9 +55,9 @@ class GraceExporter:
                     break
 
             if c_num == -1:
-                c_num = max(colors.keys())
+                c_num = max(colors.keys())+1
-                colors[c_num + 1] = (f'color{c_num + 1}', sc)
+                colors[c_num] = (f'color{c_num}', sc)
-                new_colors.append((c_num + 1, f'color{c_num + 1}', sc))
+                new_colors.append((c_num, f'color{c_num}', sc))
 
             new_s.set_symbol(**{'symbol': item['symbol'].value, 'size': item['symbolsize'] / 10., 'color': c_num,
                                 'fill color': c_num, 'fill pattern': 1})

src/gui_qt/lib/delegates.py

@@ -30,7 +30,7 @@ class PropertyDelegate(QtWidgets.QStyledItemDelegate):
 
                 rect = options.rect
                 rect.adjust(5, 0, -5, 0)
-                mid = (rect.bottom()+rect.top()) / 2
+                mid = int((rect.bottom()+rect.top()) / 2)
                 painter.drawLine(rect.left(), mid, rect.right(), mid)
                 painter.restore()
 
@@ -42,7 +42,7 @@ class PropertyDelegate(QtWidgets.QStyledItemDelegate):
                 painter.setPen(pen)
 
                 pm = make_symbol_pixmap(r)
-                painter.drawPixmap(options.rect.topLeft()+QtCore.QPoint(3, (options.rect.height()-pm.height())/2), pm)
+                painter.drawPixmap(options.rect.topLeft()+QtCore.QPoint(3, int((options.rect.height()-pm.height())/2)), pm)
 
                 style = QtWidgets.QApplication.style()
                 text_rect = style.subElementRect(QtWidgets.QStyle.SE_ItemViewItemText, options, None)
@@ -171,7 +171,7 @@ class LineStyleEditor(QtWidgets.QComboBox):
             rect = painter.style().subControlRect(QtWidgets.QStyle.CC_ComboBox,
                                                   opt, QtWidgets.QStyle.SC_ComboBoxEditField, None)
             rect.adjust(+10, 0, -10, 0)
-            mid = (rect.bottom() + rect.top()) / 2
+            mid = int((rect.bottom() + rect.top()) / 2)
             painter.drawLine(rect.left(), mid, rect.right(), mid)
             painter.end()
         else:
@@ -193,7 +193,7 @@ class LineStyleDelegate(QtWidgets.QStyledItemDelegate):
 
             rect = option.rect
             rect.adjust(+10, 0, -10, 0)
-            mid = (rect.bottom()+rect.top()) / 2
+            mid = int((rect.bottom()+rect.top()) / 2)
             painter.drawLine(rect.left(), mid, rect.right(), mid)
         else:
             QtWidgets.QStyledItemDelegate.paint(self, painter, option, index)

src/nmreval/io/graceeditor.py

@@ -1,9 +1,7 @@
 from __future__ import annotations
 
-import codecs
 import pathlib
 import re
-import warnings
 from io import StringIO
 from typing import Optional, Tuple
 
@@ -46,6 +44,22 @@ class GraceEditor:
         if filename is not None:
             self.parse(filename)
 
+    def _fix_tuda_colors(self):
+        # 2023-05-11: Default.agr had wrong TUDa colors (4a, 7b, 9b, 9d), so set the values given in colors.py
+        color_mapping = [
+            ('tuda4a', (175, 204, 80)),
+            ('tuda7b', (245, 163, 0)),
+            ('tuda9b', (230, 0, 26)),
+            ('tuda9d', (156, 28, 38)),
+        ]
+
+        for i, line in enumerate(self.header):
+            m = self._RE_COLOR.match(line)
+            if m:
+                for name, right_color in color_mapping:
+                    if m['disp'].lower() == name:
+                        self.header[i] = f'@map color {m["id"]} to {right_color}, "{m["disp"]}"\n'
+
     def __call__(self, filename: str):
         self.clear()
         self.parse(filename)
@@ -193,6 +207,8 @@ class GraceEditor:
 
                         self.graphs[-1].append(line)
 
+        self._fix_tuda_colors()
+
     def _make_graph(self, line: str):
         m = self._RE_GRAPH_START.match(line)
         g_idx = int(m.group(1))
@@ -212,7 +228,6 @@ class GraceEditor:
             m = self._RE_COLOR.match(line)
             if m:
                 _colors[int(m['id'])] = (m['disp'], (int(m['red']), int(m['green']), int(m['blue'])))
-
         return _colors
 
     def get_color(self, color_num):

src/nmreval/lib/colors.py

@@ -247,6 +247,7 @@ class Tab10(BaseColor):
     TabChartreuse = TUColorsC.TUDa5c.value
     TabTurquoise = TUColorsA.TUDa2a.value
 
+
 class Tab20(BaseColor):
     TabBlue = (31, 119, 180)
     TabBlue2 = (174, 199, 232)

src/resources/Default.agr

@@ -64,7 +64,7 @@
 @map color 2 to (93, 133, 195), "TUDa1a"
 @map color 3 to (0, 156, 218), "TUDa2a"
 @map color 4 to (80, 182, 149), "TUDa3a"
-@map color 5 to (176, 204, 80), "TUDa4a"
+@map color 5 to (175, 204, 80), "TUDa4a"
 @map color 6 to (221, 223, 72), "TUDa5a"
 @map color 7 to (255, 224, 92), "TUDa6a"
 @map color 8 to (248, 186, 60), "TUDa7a"
@@ -78,9 +78,9 @@
 @map color 16 to (153, 192, 0), "TUDa4b"
 @map color 17 to (201, 212, 0), "TUDa5b"
 @map color 18 to (253, 202, 0), "TUDa6b"
-@map color 19 to (248, 163, 0), "TUDa7b"
+@map color 19 to (245, 163, 0), "TUDa7b"
 @map color 20 to (236, 101, 0), "TUDa8b"
-@map color 21 to (239, 0, 26), "TUDa9b"
+@map color 21 to (230, 0, 26), "TUDa9b"
 @map color 22 to (166, 0, 132), "TUDa10b"
 @map color 23 to (114, 16, 133), "TUDa11b"
 @map color 24 to (0, 78, 138), "TUDa1c"
@@ -102,7 +102,7 @@
 @map color 40 to (174, 142, 0), "TUDa6d"
 @map color 41 to (190, 111, 0), "TUDa7d"
 @map color 42 to (169, 73, 19), "TUDa8d"
-@map color 43 to (188, 28, 38), "TUDa9d"
+@map color 43 to (156, 28, 38), "TUDa9d"
 @map color 44 to (115, 32, 84), "TUDa10d"
 @map color 45 to (76, 34, 106), "TUDa11d"
 @map color 46 to (220, 220, 220), "TUDa0a"