MoleditPy 1.16.3__py3-none-any.whl

moleditpy/modules/atom_item.py

@@ -0,0 +1,336 @@
+from PyQt6.QtWidgets import QGraphicsItem
+
+from PyQt6.QtGui import (
+    QPen, QBrush, QColor, QFont, QPainterPath, QFontMetricsF
+)
+
+from PyQt6.QtCore import (
+    Qt, QPointF, QRectF
+)
+
+try:
+    from .constants import (
+        ATOM_RADIUS, DESIRED_ATOM_PIXEL_RADIUS,
+        FONT_FAMILY, FONT_SIZE_LARGE, FONT_WEIGHT_BOLD,
+        CPK_COLORS,
+    )
+except Exception:
+    from modules.constants import (
+        ATOM_RADIUS, DESIRED_ATOM_PIXEL_RADIUS,
+        FONT_FAMILY, FONT_SIZE_LARGE, FONT_WEIGHT_BOLD,
+        CPK_COLORS,
+    )
+    
+try:
+    from . import sip_isdeleted_safe
+except Exception:
+    from modules import sip_isdeleted_safe
+
+class AtomItem(QGraphicsItem):
+    def __init__(self, atom_id, symbol, pos, charge=0, radical=0):
+        super().__init__()
+        self.atom_id, self.symbol, self.charge, self.radical, self.bonds, self.chiral_label = atom_id, symbol, charge, radical, [], None
+        self.setPos(pos)
+        self.implicit_h_count = 0 
+        self.setFlags(QGraphicsItem.GraphicsItemFlag.ItemIsMovable | QGraphicsItem.GraphicsItemFlag.ItemIsSelectable)
+        self.setZValue(1); self.font = QFont(FONT_FAMILY, FONT_SIZE_LARGE, FONT_WEIGHT_BOLD); self.update_style()
+        self.setAcceptHoverEvents(True)
+        self.hovered = False
+        self.has_problem = False 
+
+    def boundingRect(self):
+        # --- paint()メソッドと完全に同じロジックでテキストの位置とサイズを計算 ---
+        font = QFont(FONT_FAMILY, FONT_SIZE_LARGE, FONT_WEIGHT_BOLD)
+        fm = QFontMetricsF(font)
+
+        hydrogen_part = ""
+        if self.implicit_h_count > 0:
+            is_skeletal_carbon = (self.symbol == 'C' and 
+                                      self.charge == 0 and 
+                                      self.radical == 0 and 
+                                      len(self.bonds) > 0)
+            if not is_skeletal_carbon:
+                hydrogen_part = "H"
+                if self.implicit_h_count > 1:
+                    subscript_map = str.maketrans("0123456789", "₀₁₂₃₄₅₆₇₈₉")
+                    hydrogen_part += str(self.implicit_h_count).translate(subscript_map)
+
+        flip_text = False
+        if hydrogen_part and self.bonds:
+            my_pos_x = self.pos().x()
+            total_dx = 0.0
+            # Defensive: some bonds may have missing atom references (None) or C++ wrappers
+            # that have been deleted. Iterate and accumulate only valid partner positions.
+            for b in self.bonds:
+                # partner is the atom at the other end of the bond
+                partner = b.atom2 if b.atom1 is self else b.atom1
+                try:
+                    if partner is None:
+                        continue
+                    # If SIP reports the wrapper as deleted, skip it
+                    if sip_isdeleted_safe(partner):
+                        continue
+                    partner_pos = partner.pos()
+                    if partner_pos is None:
+                        continue
+                    total_dx += partner_pos.x() - my_pos_x
+                except Exception:
+                    # Skip any bond that raises while inspecting; keep UI tolerant
+                    continue
+
+            if total_dx > 0:
+                flip_text = True
+        
+        if flip_text:
+            display_text = hydrogen_part + self.symbol
+        else:
+            display_text = self.symbol + hydrogen_part
+
+        text_rect = fm.boundingRect(display_text)
+        text_rect.adjust(-2, -2, 2, 2)
+        if hydrogen_part:
+            symbol_rect = fm.boundingRect(self.symbol)
+            if flip_text:
+                offset_x = symbol_rect.width() // 2
+                text_rect.moveTo(offset_x - text_rect.width(), -text_rect.height() / 2)
+            else:
+                offset_x = -symbol_rect.width() // 2
+                text_rect.moveTo(offset_x, -text_rect.height() / 2)
+        else:
+            text_rect.moveCenter(QPointF(0, 0))
+
+        # 1. paint()で描画される背景の矩形(bg_rect)を計算する
+        bg_rect = text_rect.adjusted(-5, -8, 5, 8)
+        
+        # 2. このbg_rectを基準として全体の描画領域を構築する
+        full_visual_rect = QRectF(bg_rect)
+
+        # 電荷記号の領域を計算に含める
+        if self.charge != 0:
+            # Chemical convention: single charge as "+"/"-", multiple as "2+"/"2-"
+            if self.charge == 1:
+                charge_str = "+"
+            elif self.charge == -1:
+                charge_str = "-"
+            else:
+                sign = '+' if self.charge > 0 else '-'
+                charge_str = f"{abs(self.charge)}{sign}"
+            charge_font = QFont("Arial", 12, QFont.Weight.Bold)
+            charge_fm = QFontMetricsF(charge_font)
+            charge_rect = charge_fm.boundingRect(charge_str)
+
+            if flip_text:
+                charge_pos = QPointF(text_rect.left() - charge_rect.width() - 2, text_rect.top())
+            else:
+                charge_pos = QPointF(text_rect.right() + 2, text_rect.top())
+            charge_rect.moveTopLeft(charge_pos)
+            full_visual_rect = full_visual_rect.united(charge_rect)
+
+        # ラジカル記号の領域を計算に含める
+        if self.radical > 0:
+            radical_area = QRectF(text_rect.center().x() - 8, text_rect.top() - 8, 16, 8)
+            full_visual_rect = full_visual_rect.united(radical_area)
+
+        # 3. 選択ハイライト等のための最終的なマージンを追加する
+        return full_visual_rect.adjusted(-3, -3, 3, 3)
+
+    def shape(self):
+        scene = self.scene()
+        if not scene or not scene.views():
+            path = QPainterPath()
+            hit_r = max(4.0, ATOM_RADIUS - 6.0) * 2
+            path.addEllipse(QRectF(-hit_r, -hit_r, hit_r * 2.0, hit_r * 2.0))
+            return path
+
+        view = scene.views()[0]
+        scale = view.transform().m11()
+
+        scene_radius = DESIRED_ATOM_PIXEL_RADIUS / scale
+
+        path = QPainterPath()
+        path.addEllipse(QPointF(0, 0), scene_radius, scene_radius)
+        return path
+
+    def paint(self, painter, option, widget):
+        color = CPK_COLORS.get(self.symbol, CPK_COLORS['DEFAULT'])
+        if self.is_visible:
+            # 1. 描画の準備
+            painter.setFont(self.font)
+            fm = painter.fontMetrics()
+
+            # --- 水素部分のテキストを作成 ---
+            hydrogen_part = ""
+            if self.implicit_h_count > 0:
+                is_skeletal_carbon = (self.symbol == 'C' and 
+                                      self.charge == 0 and 
+                                      self.radical == 0 and 
+                                      len(self.bonds) > 0)
+                if not is_skeletal_carbon:
+                    hydrogen_part = "H"
+                    if self.implicit_h_count > 1:
+                        subscript_map = str.maketrans("0123456789", "₀₁₂₃₄₅₆₇₈₉")
+                        hydrogen_part += str(self.implicit_h_count).translate(subscript_map)
+
+            # --- テキストを反転させるか決定 ---
+            flip_text = False
+            # 水素ラベルがあり、結合が1本以上ある場合のみ反転を考慮
+            if hydrogen_part and self.bonds:
+
+                    # 相対的なX座標で、結合が左右どちらに偏っているか判定
+                    my_pos_x = self.pos().x()
+                    total_dx = 0.0
+                    # Defensive: some bonds may have missing atom references (None) or
+                    # wrappers that were deleted by SIP. Only accumulate valid partner positions.
+                    for bond in self.bonds:
+                        try:
+                            other_atom = bond.atom1 if bond.atom2 is self else bond.atom2
+                            if other_atom is None:
+                                continue
+                            # If SIP reports the wrapper as deleted, skip it
+                            try:
+                                if sip_isdeleted_safe(other_atom):
+                                    continue
+                            except Exception:
+                                # If sip check fails, continue defensively
+                                pass
+
+                            other_pos = None
+                            try:
+                                other_pos = other_atom.pos()
+                            except Exception:
+                                # Accessing .pos() may raise if the C++ object was destroyed
+                                other_pos = None
+
+                            if other_pos is None:
+                                continue
+
+                            total_dx += (other_pos.x() - my_pos_x)
+                        except Exception:
+                            # Skip any problematic bond/partner rather than crashing the paint
+                            continue
+
+                    # 結合が主に右側にある場合はテキストを反転させる
+                    if total_dx > 0:
+                        flip_text = True
+
+            # --- 表示テキストとアライメントを最終決定 ---
+            if flip_text:
+                display_text = hydrogen_part + self.symbol
+                alignment_flag = Qt.AlignmentFlag.AlignRight | Qt.AlignmentFlag.AlignVCenter
+            else:
+                display_text = self.symbol + hydrogen_part
+                alignment_flag = Qt.AlignmentFlag.AlignLeft | Qt.AlignmentFlag.AlignVCenter
+
+            text_rect = fm.boundingRect(display_text)
+            text_rect.adjust(-2, -2, 2, 2)
+            symbol_rect = fm.boundingRect(self.symbol) # 主元素のみの幅を計算
+
+            # --- テキストの描画位置を決定 ---
+            # 水素ラベルがない場合 (従来通り中央揃え)
+            if not hydrogen_part:
+                alignment_flag = Qt.AlignmentFlag.AlignCenter
+                text_rect.moveCenter(QPointF(0, 0).toPoint())
+            # 水素ラベルがあり、反転する場合 (右揃え)
+            elif flip_text:
+                # 主元素の中心が原子の中心に来るように、矩形の右端を調整
+                offset_x = symbol_rect.width() // 2
+                text_rect.moveTo(offset_x - text_rect.width(), -text_rect.height() // 2)
+            # 水素ラベルがあり、反転しない場合 (左揃え)
+            else:
+                # 主元素の中心が原子の中心に来るように、矩形の左端を調整
+                offset_x = -symbol_rect.width() // 2
+                text_rect.moveTo(offset_x, -text_rect.height() // 2)
+
+            # 2. 原子記号の背景を白で塗りつぶす
+            if self.scene():
+                bg_brush = self.scene().backgroundBrush()
+                bg_rect = text_rect.adjusted(-5, -8, 5, 8)
+                painter.setBrush(bg_brush)
+                painter.setPen(Qt.PenStyle.NoPen)
+                painter.drawEllipse(bg_rect)
+            
+            # 3. 原子記号自体を描画
+            if self.symbol == 'H':
+                painter.setPen(QPen(Qt.GlobalColor.black))
+            else:
+                painter.setPen(QPen(color))
+            painter.drawText(text_rect, int(alignment_flag), display_text)
+            
+            # --- 電荷とラジカルの描画  ---
+            if self.charge != 0:
+                # Chemical convention: single charge as "+"/"-", multiple as "2+"/"2-"
+                if self.charge == 1:
+                    charge_str = "+"
+                elif self.charge == -1:
+                    charge_str = "-"
+                else:
+                    sign = '+' if self.charge > 0 else '-'
+                    charge_str = f"{abs(self.charge)}{sign}"
+                charge_font = QFont("Arial", 12, QFont.Weight.Bold)
+                painter.setFont(charge_font)
+                charge_rect = painter.fontMetrics().boundingRect(charge_str)
+                # 電荷の位置も反転に対応
+                if flip_text:
+                    charge_pos = QPointF(text_rect.left() - charge_rect.width() -2, text_rect.top() + charge_rect.height() - 2)
+                else:
+                    charge_pos = QPointF(text_rect.right() + 2, text_rect.top() + charge_rect.height() - 2)
+                painter.setPen(Qt.GlobalColor.black)
+                painter.drawText(charge_pos, charge_str)
+            
+            if self.radical > 0:
+                painter.setBrush(QBrush(Qt.GlobalColor.black))
+                painter.setPen(Qt.PenStyle.NoPen)
+                radical_pos_y = text_rect.top() - 5
+                if self.radical == 1:
+                    painter.drawEllipse(QPointF(text_rect.center().x(), radical_pos_y), 3, 3)
+                elif self.radical == 2:
+                    painter.drawEllipse(QPointF(text_rect.center().x() - 5, radical_pos_y), 3, 3)
+                    painter.drawEllipse(QPointF(text_rect.center().x() + 5, radical_pos_y), 3, 3)
+
+
+        # --- 選択時のハイライトなど ---
+        if self.has_problem:
+            painter.setBrush(Qt.BrushStyle.NoBrush)
+            painter.setPen(QPen(QColor(255, 0, 0, 200), 4))
+            painter.drawRect(self.boundingRect())
+        elif self.isSelected():
+            painter.setBrush(Qt.BrushStyle.NoBrush)
+            painter.setPen(QPen(QColor(0, 100, 255), 3))
+            painter.drawRect(self.boundingRect())
+        if (not self.isSelected()) and getattr(self, 'hovered', False):
+            pen = QPen(QColor(144, 238, 144, 200), 3)
+            pen.setJoinStyle(Qt.PenJoinStyle.RoundJoin)
+            painter.setBrush(Qt.BrushStyle.NoBrush)
+            painter.setPen(pen)
+            painter.drawRect(self.boundingRect())
+
+    def update_style(self):
+        self.is_visible = not (self.symbol == 'C' and len(self.bonds) > 0 and self.charge == 0 and self.radical == 0)
+        self.update()
+
+
+    # 約203行目 AtomItem クラス内
+
+    def itemChange(self, change, value):
+        res = super().itemChange(change, value)
+        if change == QGraphicsItem.GraphicsItemChange.ItemPositionHasChanged:
+            if self.flags() & QGraphicsItem.GraphicsItemFlag.ItemIsMovable:
+                # Prevent cascading updates during batch operations
+                if not getattr(self, '_updating_position', False):
+                    for bond in self.bonds: 
+                        if bond.scene():  # Only update if bond is still in scene
+                            bond.update_position()
+            
+        return res
+
+    def hoverEnterEvent(self, event):
+        # シーンのモードにかかわらず、ホバー時にハイライトを有効にする
+        self.hovered = True
+        self.update()
+        super().hoverEnterEvent(event)
+
+    def hoverLeaveEvent(self, event):
+        if self.hovered:
+            self.hovered = False
+            self.update()
+        super().hoverLeaveEvent(event)

moleditpy/modules/bond_item.py

@@ -0,0 +1,303 @@
+from PyQt6.QtWidgets import QGraphicsItem, QGraphicsScene
+
+from PyQt6.QtGui import (
+    QPen, QBrush, QColor, QFont, QPolygonF,
+    QPainterPath, QPainterPathStroker, QFontMetricsF
+)
+
+from PyQt6.QtCore import (
+    Qt, QPointF, QRectF, QLineF
+)
+
+try:
+    from .constants import (
+        EZ_LABEL_BOX_SIZE, EZ_LABEL_TEXT_OUTLINE, EZ_LABEL_MARGIN,
+        BOND_OFFSET, FONT_FAMILY, FONT_SIZE_LARGE, FONT_WEIGHT_BOLD,
+        HOVER_PEN_WIDTH, DESIRED_BOND_PIXEL_WIDTH,
+    )
+except Exception:
+    from modules.constants import (
+        EZ_LABEL_BOX_SIZE, EZ_LABEL_TEXT_OUTLINE, EZ_LABEL_MARGIN,
+        BOND_OFFSET, FONT_FAMILY, FONT_SIZE_LARGE, FONT_WEIGHT_BOLD,
+        HOVER_PEN_WIDTH, DESIRED_BOND_PIXEL_WIDTH,
+    )
+
+class BondItem(QGraphicsItem):
+
+    def get_ez_label_rect(self):
+        """E/Zラベルの描画範囲（シーン座標）を返す。ラベルが無い場合はNone。"""
+        if self.order != 2 or self.stereo not in [3, 4]:
+            return None
+        line = self.get_line_in_local_coords()
+        center = line.center()
+        label_width = EZ_LABEL_BOX_SIZE
+        label_height = EZ_LABEL_BOX_SIZE
+        label_rect = QRectF(center.x() - label_width/2, center.y() - label_height/2, label_width, label_height)
+        # シーン座標に変換
+        return self.mapToScene(label_rect).boundingRect()
+    def set_stereo(self, new_stereo):
+        try:
+            # ラベルを消す場合は、消す前のboundingRectをscene().invalidateで強制的に無効化
+            if new_stereo == 0 and self.stereo in [3, 4] and self.scene():
+                rect = self.mapToScene(self.boundingRect()).boundingRect()
+                self.scene().invalidate(rect, QGraphicsScene.SceneLayer.BackgroundLayer | QGraphicsScene.SceneLayer.ForegroundLayer)
+            
+            self.prepareGeometryChange()
+            self.stereo = new_stereo
+            self.update()
+            
+            if self.scene() and self.scene().views():
+                try:
+                    self.scene().views()[0].viewport().update()
+                except (IndexError, RuntimeError):
+                    # Handle case where views are being destroyed
+                    pass
+                    
+        except Exception as e:
+            print(f"Error in BondItem.set_stereo: {e}")
+            # Continue without crashing
+            self.stereo = new_stereo
+
+    def set_order(self, new_order):
+        self.prepareGeometryChange()
+        self.order = new_order
+        self.update()
+        if self.scene() and self.scene().views():
+            self.scene().views()[0].viewport().update()
+    def __init__(self, atom1_item, atom2_item, order=1, stereo=0):
+        super().__init__()
+        # Validate input parameters
+        if atom1_item is None or atom2_item is None:
+            raise ValueError("BondItem requires non-None atom items")
+        self.atom1, self.atom2, self.order, self.stereo = atom1_item, atom2_item, order, stereo
+        self.setFlag(QGraphicsItem.GraphicsItemFlag.ItemIsSelectable)
+        self.pen = QPen(Qt.GlobalColor.black, 2)
+        self.setZValue(0)
+        self.update_position()
+        self.setAcceptHoverEvents(True)
+        self.hovered = False
+
+
+    def get_line_in_local_coords(self):
+        if self.atom1 is None or self.atom2 is None:
+            return QLineF(0, 0, 0, 0)
+        try:
+            p2 = self.mapFromItem(self.atom2, 0, 0)
+            return QLineF(QPointF(0, 0), p2)
+        except (RuntimeError, TypeError):
+            # Handle case where atoms are deleted from scene
+            return QLineF(0, 0, 0, 0)
+
+    def boundingRect(self):
+        try:
+            line = self.get_line_in_local_coords()
+        except Exception:
+            line = QLineF(0, 0, 0, 0)
+        bond_offset = globals().get('BOND_OFFSET', 2)
+        extra = (getattr(self, 'order', 1) - 1) * bond_offset + 20
+        rect = QRectF(line.p1(), line.p2()).normalized().adjusted(-extra, -extra, extra, extra)
+
+        # E/Zラベルの描画範囲も考慮して拡張（QFontMetricsFで正確に）
+        if self.order == 2 and self.stereo in [3, 4]:
+            font = QFont(FONT_FAMILY, FONT_SIZE_LARGE, FONT_WEIGHT_BOLD)
+            font.setItalic(True)
+            text = "Z" if self.stereo == 3 else "E"
+            fm = QFontMetricsF(font)
+            text_rect = fm.boundingRect(text)
+            outline = EZ_LABEL_TEXT_OUTLINE  # 輪郭の太さ分
+            margin = EZ_LABEL_MARGIN   # 追加余白
+            center = line.center()
+            label_rect = QRectF(center.x() - text_rect.width()/2 - outline - margin,
+                                center.y() - text_rect.height()/2 - outline - margin,
+                                text_rect.width() + 2*outline + 2*margin,
+                                text_rect.height() + 2*outline + 2*margin)
+            rect = rect.united(label_rect)
+        return rect
+
+    def shape(self):
+        path = QPainterPath()
+        try:
+            line = self.get_line_in_local_coords()
+        except Exception:
+            return path 
+        if line.length() == 0:
+            return path
+
+        scene = self.scene()
+        if not scene or not scene.views():
+            return super().shape()
+
+        view = scene.views()[0]
+        scale = view.transform().m11()
+
+        scene_width = DESIRED_BOND_PIXEL_WIDTH / scale
+
+        stroker = QPainterPathStroker()
+        stroker.setWidth(scene_width)
+        stroker.setCapStyle(Qt.PenCapStyle.RoundCap)  
+        stroker.setJoinStyle(Qt.PenJoinStyle.RoundJoin) 
+
+        center_line_path = QPainterPath(line.p1())
+        center_line_path.lineTo(line.p2())
+        
+        return stroker.createStroke(center_line_path)
+
+    def paint(self, painter, option, widget):
+        if self.atom1 is None or self.atom2 is None:
+            return
+        line = self.get_line_in_local_coords()
+        if line.length() == 0: return
+
+        # --- 1. 選択状態に応じてペンとブラシを準備 ---
+        if self.isSelected():
+            selection_color = QColor("blue")
+            painter.setPen(QPen(selection_color, 3))
+            painter.setBrush(QBrush(selection_color))
+        else:
+            # Allow bond color override from app settings (2D color)
+            try:
+                sc = self.scene()
+                if sc is not None and hasattr(sc, 'window') and sc.window is not None:
+                    bond_hex = sc.window.settings.get('bond_color', '#222222')
+                    bond_color = QColor(bond_hex)
+                    painter.setPen(QPen(bond_color, 2))
+                else:
+                    painter.setPen(self.pen)
+            except Exception:
+                painter.setPen(self.pen)
+            painter.setBrush(QBrush(Qt.GlobalColor.black))
+
+        # --- 立体化学 (Wedge/Dash) の描画 ---
+        if self.order == 1 and self.stereo in [1, 2]:
+            vec = line.unitVector()
+            normal = vec.normalVector()
+            p1 = line.p1() + vec.p2() * 5
+            p2 = line.p2() - vec.p2() * 5
+
+            if self.stereo == 1: # Wedge (くさび形)
+                offset = QPointF(normal.dx(), normal.dy()) * 6.0
+                poly = QPolygonF([p1, p2 + offset, p2 - offset])
+                painter.drawPolygon(poly)
+            
+            elif self.stereo == 2: # Dash (破線)
+                painter.save()
+                if not self.isSelected():
+                    pen = painter.pen()
+                    pen.setWidthF(2.5) 
+                    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 = 12.0 * t
+                    offset = QPointF(normal.dx(), normal.dy()) * width / 2.0
+                    painter.drawLine(start_pt - offset, start_pt + offset)
+                painter.restore()
+        
+        # --- 通常の結合 (単/二重/三重) の描画 ---
+        else:
+            if self.order == 1:
+                painter.drawLine(line)
+            else:
+                v = line.unitVector().normalVector()
+                offset = QPointF(v.dx(), v.dy()) * BOND_OFFSET
+
+                if self.order == 2:
+                    # -------------------- ここから差し替え --------------------)
+                    line1 = line.translated(offset)
+                    line2 = line.translated(-offset)
+                    painter.drawLine(line1)
+                    painter.drawLine(line2)
+
+                    # E/Z ラベルの描画処理
+                    if self.stereo in [3, 4]:
+                        painter.save() # 現在の描画設定を保存
+
+                        # --- ラベルの設定 ---
+                        font = QFont(FONT_FAMILY, FONT_SIZE_LARGE, FONT_WEIGHT_BOLD)
+                        font.setItalic(True)
+                        text_color = QColor("gray")
+                        # 輪郭の色を背景色と同じにする（scene()がNoneのときは安全なフォールバックを使う）
+                        outline_color = None
+                        try:
+                            sc = self.scene()
+                            if sc is not None:
+                                outline_color = sc.backgroundBrush().color()
+                        except Exception:
+                            outline_color = None
+                        if outline_color is None:
+                            # デフォルトでは白背景を想定して黒系の輪郭が見やすい
+                            outline_color = QColor(255, 255, 255)
+
+                        # --- 描画パスの作成 ---
+                        text = "Z" if self.stereo == 3 else "E"
+                        path = QPainterPath()
+                        
+                        # テキストが正確に中央に来るように位置を計算
+                        fm = QFontMetricsF(font)
+                        text_rect = fm.boundingRect(text)
+                        text_rect.moveCenter(line.center())
+                        path.addText(text_rect.topLeft(), font, text)
+
+                        # --- 輪郭の描画 ---
+                        stroker = QPainterPathStroker()
+                        stroker.setWidth(EZ_LABEL_TEXT_OUTLINE) # 輪郭の太さ
+                        outline_path = stroker.createStroke(path)
+                        
+                        painter.setBrush(outline_color)
+                        painter.setPen(Qt.PenStyle.NoPen)
+                        painter.drawPath(outline_path)
+
+                        # --- 文字本体の描画 ---
+                        painter.setBrush(text_color)
+                        painter.setPen(text_color)
+                        painter.drawPath(path)
+
+                        painter.restore() # 描画設定を元に戻す
+
+                elif self.order == 3:
+                    painter.drawLine(line)
+                    painter.drawLine(line.translated(offset))
+                    painter.drawLine(line.translated(-offset))
+
+        # --- 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:
+                # 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), HOVER_PEN_WIDTH) # LightGreen, 半透明
+                hover_pen.setCapStyle(Qt.PenCapStyle.RoundCap)
+                painter.setPen(hover_pen)
+                painter.drawLine(line) 
+            except Exception:
+                pass
+
+
+
+    def update_position(self):
+        try:
+            self.prepareGeometryChange()
+            if self.atom1:
+                self.setPos(self.atom1.pos())
+            self.update()
+        except Exception as e:
+            print(f"Error updating bond position: {e}")
+            # Continue without crashing
+
+
+    def hoverEnterEvent(self, event):
+        scene = self.scene()
+        mode = getattr(scene, 'mode', '')
+        self.hovered = True
+        self.update()
+        if self.scene():
+            self.scene().set_hovered_item(self)
+        super().hoverEnterEvent(event)
+
+    def hoverLeaveEvent(self, event):
+        if self.hovered:
+            self.hovered = False
+            self.update()
+        if self.scene():
+            self.scene().set_hovered_item(None)
+        super().hoverLeaveEvent(event)