/// <summary>
/// 根据搜索好的路线绘制分支线
/// </summary>
/// <param name="listBranch"></param>
/// <param name="mp"></param>
/// <param name="md"></param>
private MDocument WriteBranchWithMD(List <string> listBranch)
{
//当前行
int lineIndex = 0;
//先绘制出一条线
List <string> branchList = listBranch[0].Split(',').ToList();
var molList = branchList[0].Split(';').ToList();
MoleCulePostion mp = new MoleCulePostion(molList[0]);
MDocument md = new MDocument(mp.Mol);
//写mol层次号
string txt = molList[1];
_ListTextPosition.Add(txt + "," + mp.Center_x + "," + (mp.Bottom_y - TxtspaceWithMolInY));
WriteSimpleBranch(mp, branchList, 1, mp.Mol, md, true);
lineIndex += branchList.Count / BranchOneLineNum + (branchList.Count % BranchOneLineNum > 0 ? 1 : 0);
//再绘制出其他的线
for (int i = 1; i < listBranch.Count; i++)
{
List <string> branchList1 = listBranch[i].Split(',').ToList();
var molList1 = branchList1[0].Split(';').ToList();
MoleCulePostion mp1 = new MoleCulePostion(molList1[0]);
SetMolPosition(mp1, 0, mp.Center_y - SpanceY * BranchSPFWithY * lineIndex);
//写mol层次号
txt = molList1[1];
_ListTextPosition.Add(txt + "," + mp1.Center_x + "," + (mp1.Bottom_y - TxtspaceWithMolInY));
lineIndex += branchList1.Count / BranchOneLineNum + (branchList1.Count % BranchOneLineNum > 0 ? 1 : 0);
//划分支
WriteSimpleBranch(mp1, branchList1, 1, mp.Mol, md, false);
//合并分支显示
mp.Mol.fuse(mp1.Mol);
}
//返回绘图
return(md);
}
/// <summary>
/// 设置每个原子距离原点的X距离，Y距离
/// </summary>
/// <param name="mol2"></param>
/// <param name="spaceX"></param>
/// <param name="spaceY"></param>
private void SetMolPosition(MoleCulePostion mp, double spaceX, double spaceY)
{
foreach (var item in mp.Mol.getAtomArray())
{
double x = item.getX();
double y = item.getY();
item.setX(x + spaceX);
item.setY(y + spaceY);
}
//调用位置类计算位置函数重新赋值
mp.AddSpace(spaceX, spaceY);
}
/// <summary>
/// 绘图
/// </summary>
/// <param name="rootTree"></param>
/// <returns></returns>
private MDocument WriteTree(TreeNodes rootTree)
{
MoleCulePostion mp = new MoleCulePostion(rootTree.Smiles);
MDocument md = new MDocument(mp.Mol);
//初始化树的叶子节点数量
InitTreeLeapNum(rootTree);
//开始遍历子节点
_DicListTextPosition = new Dictionary <int, List <string> >();
_DicListTextPosition.Add(0, new List <string>()); //上
_DicListTextPosition.Add(1, new List <string>()); //中
_DicListTextPosition.Add(2, new List <string>()); //下
SearchChildNode(rootTree, md, mp, mp.Mol, 1);
return(md);
}
/// <summary>
/// 不包括根点的树单分支递归绘制
/// </summary>
/// <param name="previousMp">前一个mol类</param>
/// <param name="branchList">分支smiles记录</param>
/// <param name="index">当前次序</param>
/// <param name="rootMol">根mol</param>
/// <param name="md">文档对象</param>
/// <param name="isRoot">是否是最长分支路线</param>
private void WriteSimpleBranch(MoleCulePostion previousMp, List <string> branchList, int index, Molecule rootMol, MDocument md, bool isRoot)
{
double molLeftSpace = 0;
if (branchList.Count <= index)
{
//WriteText(md);
return;
}
double curY = previousMp.Center_y;
double curX = previousMp.Right_x;
if (index % BranchOneLineNum == 0)
{
curY -= SpanceY * BranchSPFWithY;
curX = 0 - SpanceX * BranchSPFWithX;
//WriteText(md);
}
//写反应的其他物质，仅限最长路线
int anotherMolNum = 0;
double maxLength = 0;
if (!string.IsNullOrEmpty(DicBranchSmiles[index]) && isRoot)
{
List <string> listSmiles = DicBranchSmiles[index].Split(',').ToList();
anotherMolNum = listSmiles.Count;
if (listSmiles.Count == 1)
{
var molList = listSmiles[0].Split(';').ToList();
MoleCulePostion mp1 = new MoleCulePostion(molList[0]);
double leftDistance = mp1.Center_x - mp1.Left_x;
double bottomDistance = mp1.Center_y - mp1.Bottom_y;
maxLength = mp1.Right_x - mp1.Left_x + BranchAnotherMolDistanceX * 2;
SetMolPosition(mp1, previousMp.Right_x + leftDistance + BranchAnotherMolDistanceX,
previousMp.Center_y + bottomDistance + BranchAnotherMolDistanceY + 1.5);
//写箭头上mol层次号
md.addObject(CreateMTextBox(molList[1],
new MPoint(previousMp.Right_x + leftDistance + BranchAnotherMolDistanceX,
previousMp.Center_y + 1.5)));
rootMol.fuse(mp1.Mol);
}
else if (listSmiles.Count == 2)
{
foreach (var smiles in listSmiles)
{
var molList = smiles.Split(';').ToList();
MoleCulePostion mp1 = new MoleCulePostion(molList[0]);
double leftDistance = mp1.Center_x - mp1.Left_x;
double bottomDistance = mp1.Center_y - mp1.Bottom_y;
SetMolPosition(mp1, maxLength + previousMp.Right_x + leftDistance + BranchAnotherMolDistanceX,
previousMp.Center_y + bottomDistance + BranchAnotherMolDistanceY + 1.5);
//写箭头上mol层次号
md.addObject(CreateMTextBox(molList[1],
new MPoint(maxLength + previousMp.Right_x + leftDistance + BranchAnotherMolDistanceX,
previousMp.Center_y + 1.5)));
rootMol.fuse(mp1.Mol);
maxLength += mp1.Right_x - mp1.Left_x + BranchAnotherMolDistanceX * 2;
}
}
}
//箭头绘制;
MPoint p1 = new MPoint(previousMp.Right_x + SpanceX * BranchSPFWithX * 0.15, previousMp.Center_y);
MPoint p2 = new MPoint(previousMp.Right_x + SpanceX * BranchSPFWithX * 0.85, previousMp.Center_y);
if (anotherMolNum == 2)
{
p1 = new MPoint(previousMp.Right_x + maxLength * 0.15, previousMp.Center_y);
p2 = new MPoint(previousMp.Right_x + maxLength * 0.85, previousMp.Center_y);
}
if (anotherMolNum == 1)
{
p1 = new MPoint(previousMp.Right_x + maxLength * 0.15, previousMp.Center_y);
p2 = new MPoint(previousMp.Right_x + maxLength * 0.85, previousMp.Center_y);
}
MPolyline arrow = new MPolyline(p1, p2);
arrow.setArrow(true);
arrow.setArrowLength(1, chemaxon.struc.graphics.MPolyline.DEFAULT_ARROW_HEAD_LENGTH / 2);
arrow.setArrowWidth(1, chemaxon.struc.graphics.MPolyline.DEFAULT_ARROW_HEAD_WIDTH);
arrow.setArrowFlags(1, chemaxon.struc.graphics.MPolyline.ARROW_DASHED_FLAG);
md.addObject(arrow);
//分子绘制
var molList1 = branchList[index].Split(';').ToList();
MoleCulePostion tempMp = new MoleCulePostion(molList1[0]);
molLeftSpace = tempMp.Center_x - tempMp.Left_x;
if (curX == -SpanceX * BranchSPFWithX)
{
molLeftSpace = 0;
maxLength = SpanceX * BranchSPFWithX;
}
if (anotherMolNum == 2)
{
SetMolPosition(tempMp, curX + maxLength + molLeftSpace, curY);
}
else if (anotherMolNum == 1)
{
SetMolPosition(tempMp, curX + maxLength + molLeftSpace, curY);
}
else if (anotherMolNum == 0)
{
SetMolPosition(tempMp, curX + SpanceX * BranchSPFWithX + molLeftSpace, curY);
}
rootMol.fuse(tempMp.Mol);
//写mol层次号
string txt = molList1[1];
if (txt != "0a")
{
_ListTextPosition.Add(txt + "," + tempMp.Center_x + "," + (tempMp.Bottom_y - TxtspaceWithMolInY));
}
//下一级
WriteSimpleBranch(tempMp, branchList, index + 1, rootMol, md, isRoot);
}
/// <summary>
/// 遍历子节点加入画图中
/// </summary>
/// <param name="node">当前节点</param>
/// <param name="md">画图对象</param>
/// <param name="previousMp">前一个节点的位置坐标对象</param>
/// <param name="RootMol">根mol</param>
/// <param name="level">层级</param>
private void SearchChildNode(TreeNodes node, MDocument md, MoleCulePostion previousMp, Molecule RootMol, int bracnchIndex)
{
double molLeftSpace = 0;
int num = node.Children.Count;
if (num == 1)
{
TreeNodes childNode = node.Children[0];
//绘制
MoleCulePostion mp = new MoleCulePostion(childNode.Smiles);
molLeftSpace = mp.Center_x - mp.Left_x;
SetMolPosition(mp, previousMp.Right_x + SpanceX + molLeftSpace, previousMp.Center_y);
RootMol.fuse(mp.Mol);
//写mol层次号
string txt = ReactionSteps.ToString() + "a";
_DicListTextPosition[bracnchIndex].Add(txt + "," + mp.Center_x + "," + (mp.Bottom_y - TxtspaceWithMolInY));
//划水平线
MPoint p1 = new MPoint(previousMp.Right_x + SpanceX * (0.5 - SpaceLineScale / 2), previousMp.Center_y);
MPoint p2 = new MPoint(previousMp.Right_x + SpanceX * (0.5 + SpaceLineScale / 2), previousMp.Center_y);
MRectangle arrow = new MRectangle(p1, p2);
md.addObject(arrow);
//写反应步次
md.addObject(CreateMTextBox((ReactionSteps++).ToString(),
new MPoint(previousMp.Right_x + SpanceX * 0.5, previousMp.Center_y + ReactionIndexSpaceWithLine)));
//遍历子集
SearchChildNode(childNode, md, mp, RootMol, bracnchIndex);
}
else if (num > 1)
{
WriteText(md, bracnchIndex);
if (num % 2 == 0)
{
//对称式绘出节点位置
double topY = previousMp.Center_y;
double bottomY = previousMp.Center_y;
List <double> listHigh = new List <double>();
List <char> listChar = new List <char>();
for (int i = 0; i < num; i++)
{
listChar.Add((char)('a' + i));
}
var list = node.Children;
for (int i = 0; i < list.Count; i += 2)
{
//记录当前反应的步数
int curStep = ReactionSteps++;
double tempY1 = list[i].ChildLeapNum * SpanceY;
double tempY2 = list[i + 1].ChildLeapNum * SpanceY;
topY += tempY1 > tempY2 ? tempY1 : tempY2;
bottomY -= tempY1 > tempY2 ? tempY1 : tempY2;
listHigh.Add(topY);
listHigh.Add(bottomY);
//上半部分
MoleCulePostion mp1 = new MoleCulePostion(list[i].Smiles);
molLeftSpace = mp1.Center_x - mp1.Left_x;
SetMolPosition(mp1, previousMp.Right_x + SpanceX + molLeftSpace, topY);
RootMol.fuse(mp1.Mol);
//写mol层次号
string txt1 = curStep.ToString() + listChar[num - (num / 2 + i / 2) - 1];
_DicListTextPosition[0].Add(txt1 + "," + mp1.Center_x + "," + (mp1.Bottom_y - TxtspaceWithMolInY));
//找子集
SearchChildNode(list[i], md, mp1, RootMol, 0);
//下半部分
MoleCulePostion mp2 = new MoleCulePostion(list[i + 1].Smiles);
molLeftSpace = mp2.Center_x - mp2.Left_x;
SetMolPosition(mp2, previousMp.Right_x + SpanceX + molLeftSpace, bottomY);
RootMol.fuse(mp2.Mol);
//写mol层次号
string txt2 = curStep.ToString() + listChar[num / 2 + i / 2];
_DicListTextPosition[2].Add(txt2 + "," + mp2.Center_x + "," + (mp2.Bottom_y - TxtspaceWithMolInY));
//写反应步次
double startWithText = 0.5 - SpaceLineScale / 4;
md.addObject(CreateMTextBox((curStep).ToString(),
new MPoint(previousMp.Right_x + SpanceX * startWithText, previousMp.Center_y + ReactionIndexSpaceWithLine)));
WriteBranchLine(previousMp.Right_x, previousMp.Center_y, listHigh, md);
//找子集
SearchChildNode(list[i + 1], md, mp2, RootMol, 2);
}
}
else
{
//记录当前反应的步数
int curStep = ReactionSteps++;
double topY = previousMp.Center_y;
double bottomY = previousMp.Center_y;
List <double> listHigh = new List <double>();
List <char> listChar = new List <char>();
for (int i = 0; i < num; i++)
{
listChar.Add((char)('a' + i));
}
var list = node.Children;
//先绘画水平节点
MoleCulePostion mp = new MoleCulePostion(list[0].Smiles);
molLeftSpace = mp.Center_x - mp.Left_x;
SetMolPosition(mp, previousMp.Right_x + SpanceX + molLeftSpace, previousMp.Center_y);
RootMol.fuse(mp.Mol);
//写mol层次号
string txt = curStep.ToString() + listChar[num / 2];
_DicListTextPosition[1].Add(txt + "," + mp.Center_x + "," + (mp.Bottom_y - TxtspaceWithMolInY));
//找子集
SearchChildNode(list[0], md, mp, RootMol, 1);
//分隔两侧间距
double high_mp = list[0].ChildLeapNum * SpanceY;
topY += high_mp;
bottomY -= high_mp;
listHigh.Add(previousMp.Center_y);
//两端节点
for (int i = 1; i < list.Count; i += 2)
{
double tempY1 = list[i].ChildLeapNum * SpanceY;
double tempY2 = list[i + 1].ChildLeapNum * SpanceY;
topY += tempY1 > tempY2 ? tempY1 : tempY2;
bottomY -= tempY1 > tempY2 ? tempY1 : tempY2;
listHigh.Add(topY);
listHigh.Add(bottomY);
//上半部分
MoleCulePostion mp1 = new MoleCulePostion(list[i].Smiles);
molLeftSpace = mp1.Center_x - mp1.Left_x;
SetMolPosition(mp1, previousMp.Right_x + SpanceX + molLeftSpace, topY);
RootMol.fuse(mp1.Mol);
//写mol层次号
string txt1 = curStep.ToString() + listChar[num / 2 - 1 - i / 2];
_DicListTextPosition[0].Add(txt1 + "," + mp1.Center_x + "," + (mp1.Bottom_y - TxtspaceWithMolInY));
//找子集
SearchChildNode(list[i], md, mp1, RootMol, 0);
//下半部分
MoleCulePostion mp2 = new MoleCulePostion(list[i + 1].Smiles);
molLeftSpace = mp2.Center_x - mp2.Left_x;
SetMolPosition(mp2, previousMp.Right_x + SpanceX + molLeftSpace, bottomY);
RootMol.fuse(mp2.Mol);
//写mol层次号
string txt2 = curStep.ToString() + listChar[num / 2 + 1 + i / 2];
_DicListTextPosition[2].Add(txt2 + "," + mp2.Center_x + "," + (mp2.Bottom_y - TxtspaceWithMolInY));
//写反应步次
double startWithText = 0.5 - SpaceLineScale / 4;
md.addObject(CreateMTextBox((curStep).ToString(), new MPoint(previousMp.Right_x + SpanceX * startWithText, previousMp.Center_y + ReactionIndexSpaceWithLine)));
WriteBranchLine(previousMp.Right_x, previousMp.Center_y, listHigh, md);
//找子集
SearchChildNode(list[i + 1], md, mp2, RootMol, 2);
}
}
}
else
{
WriteText(md, bracnchIndex);
}
}
