moleditpy 1.1.2__tar.gz → 1.1.4__tar.gz

{moleditpy-1.1.2 → moleditpy-1.1.4}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: moleditpy
-Version: 1.1.2
+Version: 1.1.4
 Summary: A cross-platform, simple, and intuitive molecular structure editor built in Python. It allows 2D molecular drawing and 3D structure visualization. It supports exporting structure files for input to DFT calculation software.
 Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
 Project-URL: Homepage, https://github.com/HiroYokoyama/python_molecular_editor

{moleditpy-1.1.2 → moleditpy-1.1.4}/pyproject.toml

@@ -5,7 +5,7 @@ build-backend = "setuptools.build_meta"
 [project]
 name = "moleditpy"
 
-version = "1.1.2"
+version = "1.1.4"
 
 authors = [
   { name="HiroYokoyama", email="titech.yoko.hiro@gmail.com" },

{moleditpy-1.1.2 → moleditpy-1.1.4}/src/moleditpy/main.py

@@ -11,7 +11,7 @@ DOI 10.5281/zenodo.17268532
 """
 
 #Version
-VERSION = "1.1.2"
+VERSION = "1.1.4"
 
 import sys
 import numpy as np
@@ -450,11 +450,14 @@ class BondItem(QGraphicsItem):
                 painter.drawPolygon(poly)
             
             elif self.stereo == 2: # Dash (破線)
+                pen = painter.pen()
+                pen.setWidthF(2.5) # デフォルトの太さ(2)から少し太くする
+                painter.setPen(pen)
                 num_dashes = 8
                 for i in range(num_dashes + 1):
                     t = i / num_dashes
                     start_pt = p1 * (1 - t) + p2 * t
-                    width = 5.0 * (1 - t)
+                    width = 12.0 * (1 - t)
                     offset = QPointF(normal.dx(), normal.dy()) * width / 2.0
                     painter.drawLine(start_pt - offset, start_pt + offset)
         
@@ -476,39 +479,14 @@ class BondItem(QGraphicsItem):
         # --- 2. ホバー時のエフェクトを上から重ねて描画 ---
         if (not self.isSelected()) and getattr(self, 'hovered', False):
             try:
-                hover_pen = QPen(QColor(144, 238, 144, 180), 8) # 少し太くして見やすく
+                # ホバー時のハイライトを太めの半透明な線で描画
+                hover_pen = QPen(QColor(144, 238, 144, 180), 8) # LightGreen, 半透明
                 hover_pen.setCapStyle(Qt.PenCapStyle.RoundCap)
                 painter.setPen(hover_pen)
-                painter.drawLine(line) # 中心線をなぞる
+                painter.drawLine(line) 
             except Exception:
                 pass
 
-        if self.order == 1:
-            painter.drawLine(line)
-        else:
-            v = line.unitVector().normalVector()
-            offset = QPointF(v.dx(), v.dy()) * BOND_OFFSET
-            if self.order == 2:
-                painter.drawLine(line.translated(offset))
-                painter.drawLine(line.translated(-offset))
-            elif self.order == 3:
-                painter.drawLine(line)
-                painter.drawLine(line.translated(offset))
-                painter.drawLine(line.translated(-offset))
-
-        # ホバー時は中央の線に太めの薄い緑を重ねて「枠っぽく」見せる
-        if (not self.isSelected()) and getattr(self, 'hovered', False):
-            try:
-                line = self.get_line_in_local_coords()
-                if line.length() > 0:
-                    hover_pen = QPen(QColor(144, 238, 144, 180), 6)  # 太めで透過
-                    hover_pen.setCapStyle(Qt.PenCapStyle.RoundCap)
-                    hover_pen.setJoinStyle(Qt.PenJoinStyle.RoundJoin)
-                    painter.setPen(hover_pen)
-                    # 中心をなぞる一本線で十分視認できる（複数本線の結合も中心線で可）
-                    painter.drawLine(line)
-            except Exception:
-                pass
 
 
     def update_position(self):
@@ -1022,10 +1000,11 @@ class MoleculeScene(QGraphicsScene):
         self.template_context = {}
 
         if isinstance(item, AtomItem):
-            # 原子にスナップ
             p0 = item.pos()
-            direction = QLineF(p0, pos).unitVector()
-            p1 = p0 + direction.p2() * l if direction.length() > 0 else p0 + QPointF(l, 0)
+            continuous_angle = math.atan2(pos.y() - p0.y(), pos.x() - p0.x())
+            snap_angle_rad = math.radians(15)
+            snapped_angle = round(continuous_angle / snap_angle_rad) * snap_angle_rad
+            p1 = p0 + QPointF(l * math.cos(snapped_angle), l * math.sin(snapped_angle))
             points = self._calculate_polygon_from_edge(p0, p1, n)
             self.template_context['items'] = [item]
 
@@ -1083,7 +1062,7 @@ class MoleculeScene(QGraphicsScene):
             # Note: v_edgeは正規化済みだが、方向は同じなので判定には問題ない
             v_cursor = cursor_pos - p0
             cross_product_z = (p1 - p0).x() * v_cursor.y() - (p1 - p0).y() * v_cursor.x()
-            if cross_product_z > 0:
+            if cross_product_z < 0:
                 rotation_angle = -rotation_angle
 
         cos_a, sin_a = math.cos(rotation_angle), math.sin(rotation_angle)

{moleditpy-1.1.2 → moleditpy-1.1.4}/src/moleditpy.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: moleditpy
-Version: 1.1.2
+Version: 1.1.4
 Summary: A cross-platform, simple, and intuitive molecular structure editor built in Python. It allows 2D molecular drawing and 3D structure visualization. It supports exporting structure files for input to DFT calculation software.
 Author-email: HiroYokoyama <titech.yoko.hiro@gmail.com>
 Project-URL: Homepage, https://github.com/HiroYokoyama/python_molecular_editor