C實(shí)現(xiàn)分子沉積模擬的示例代碼

更新時(shí)間：2013年11月19日 14:40:26 作者：

這篇文章主要介紹了計(jì)算機(jī)在材料科學(xué)中的一個(gè)練習(xí)題，功能是模擬氣化后分子沉積

/******************分子沉積模擬器****************/
/* 主要功能：模擬單片分子沉積                    */
/*-------------------By TJX---------------------*/

#include<stdio.h>
#include<graphics.h>
#include<alloc.h>
#include<stdlib.h>
#include<time.h>
float dir;    /*移動(dòng)方向概率參數(shù)在0-1間*/
int main()
{int i,count=0;                /*設(shè)置分子總數(shù)*/
int gdriver=DETECT, gmode,errorcode,size;
int x,y;
time_t lt;
unsigned seed;
char **a;
void *buf,*buf1;
a=(char**)malloc(100*sizeof(char*));     /*分配內(nèi)存空間*/
for(i=0;i<100;i++)
    {a[i]=(char*)malloc(167*sizeof(char));
     memset(a[i],0,167);}         /*用0初始化數(shù)組，0代表該處無分子，1代表有分子*/
lt=time(NULL);
seed=(unsigned)lt;
srand(seed);                    /*用時(shí)間初始化隨機(jī)器*/
printf("\n\n\n\n\tPlease Input The Pf(0<=pf<=1):\n");
do{
     scanf("%f",&dir);                  /*獲取移動(dòng)方向概率參數(shù)*/
     getch();
    }while(dir<0||dir>1);

clrscr(); 

initgraph(&gdriver, &gmode, "c:\\tc");     /*初始化圖形驅(qū)動(dòng)*/
     errorcode = graphresult();              /*檢測(cè)是否初始化成功*/
    if (errorcode != grOk) /* an error occurred 錯(cuò)誤發(fā)生則退出*/
    {
       printf("Graphics error: %s\n", grapherrormsg(errorcode));
       printf("Press any key to halt:");
       getch();
       for(i=0;i<100;i++) free(a[i]);
       free(a);
       exit(1); /* terminate with an error code */
    }
    setbkcolor(BLUE);             
    cleardevice();
    size=imagesize(2,2,4,4);               /*返回用于橡皮擦的圖片字節(jié)數(shù)*/
    buf=malloc(size);               /*為其分配內(nèi)存*/
    size=imagesize(9,49,11,51);         /*返回用于覆蓋的圖片字節(jié)數(shù)*/
    buf1=malloc(size);               
    drawscreen(buf,buf1);
    drawtxtscr(dir);               /*繪制界面*/
    putimage(9,49,buf,COPY_PUT);         /*清除9，49處的分子*/ 
    getch();
    do{
       x=3*(int)(166.0*(rand()/32767.0));    /*隨機(jī)生成分子出現(xiàn)位置*/      
       move(x,a,buf,buf1);              /*分子移動(dòng)*/
       }while(++count<10); 
    getch();
    closegraph();
    free(buf); 
    free(buf1);                    /*釋放內(nèi)存*/                         
    for(i=0;i<100;i++) free(a[i]);
    free(a);
    return 0;
}

drawtxtscr()
{ int ud[8]={10,320,490,320,490,400,10,400};
    char s[60];
    setcolor(YELLOW);
    setlinestyle(0,0,NORM_WIDTH);
    setfillstyle(1,CYAN);
    fillpoly(4,ud);
    sprintf(s,"The downwards probobility of the atom equal:\n%.1f",dir);
    settextstyle(2,0,4);
    outtextxy(30,335,s);
    settextstyle(4,0,2);
    outtextxy(190,375,"---TJX---");
    }
drawscreen(void *bu,void *bu1)               /*繪制工作區(qū)*/
{ int userdata[8]={0,0,501,0,501,300,0,300};
    int size;
    setbkcolor(BLUE);
    cleardevice();
    setcolor(GREEN);
    setlinestyle(0,0,NORM_WIDTH);      /*設(shè)置線形*/
    setviewport(69,69,639,479,1);     /*設(shè)置顯示區(qū)*/
    setfillstyle(1,GREEN);          
    fillpoly(4,userdata);
    getimage(2,2,4,4,bu);                /*將獲取模擬橡皮擦存入內(nèi)存*/
    setcolor(YELLOW);
    setfillstyle(1,YELLOW);
    circle(10,50,1);               /*繪制模擬分子*/
    floodfill(10,50,YELLOW);          /*填充黃色*/
    getimage(9,49,11,51,bu1);          /*將模擬分子存入內(nèi)存*/
}
move(int x,char **a,void *buf,void *buf1)
{ float dirction;
int sx,sy=0,i,j,end=0,start=0;
sx=x;
do{
      if(sx==0) start=1;               /*判定分子出現(xiàn)位置*/
      else if(sx>0&&sx<498) start=2;
      else start=3;
      j=sx/3;                    /*記錄*/
      i=sy/3;
      if(start==1&&sy<297&&(a[i+1][j]+a[i][j+1])==0) /*判定其四周是否有分子存在*/
        { dirction=(float)(rand()/32627.0);      /*隨機(jī)生成分子運(yùn)動(dòng)方向*/ 
          if(dirction<=dir) {sy=sy+3 ; 
                             putimage(sx,sy,buf1,COPY_PUT);
                             putimage(sx,sy-3,buf,COPY_PUT);}
          else if(dirction>dir&&dirction<=(1+dir)/2)
                            {sy=sy+3;
                             putimage(sx,sy,buf1,COPY_PUT);
                             putimage(sx,sy-3,buf,COPY_PUT);} 
          else if(dirction>(1+dir)/2 && dirction<=1.0)
                             { sx=sx+3;              
                               putimage(sx,sy,buf1,COPY_PUT);
                               putimage(sx-3,sy,buf,COPY_PUT); }
          }                         
       else if(start==2&&sy<297&&(a[i][j-1]+a[i+1][j]+a[i][j+1])==0)
           { dirction=(float)(rand()/32627.0);
           if(dirction<=dir) {sy=sy+3; 
                             putimage(sx,sy,buf1,COPY_PUT);
                             putimage(sx,sy-3,buf,COPY_PUT);}
          else if(dirction>dir&&dirction<=(1+dir)/2)
                            {sx=sx-3;
                             putimage(sx,sy,buf1,COPY_PUT);
                             putimage(sx+3,sy,buf,COPY_PUT);} 
          else if(dirction>(1+dir)/2 && dirction<=1.0)
                             { sx=sx+3;              
                               putimage(sx,sy,buf1,COPY_PUT);
                               putimage(sx-3,sy,buf,COPY_PUT); }
            }
       else if(start==3&&sy<297&&(a[i][j-1]+a[i+1][j])==0) 
           { dirction=(float)(rand()/32627.0);
            if(dirction<=dir) {sy=sy+3 ; 
                             putimage(sx,sy,buf1,COPY_PUT);
                             putimage(sx,sy-3,buf,COPY_PUT);}
            else if(dirction>dir&&dirction<=(1+dir)/2)
                            {sx=sx-3;
                             putimage(sx,sy,buf1,COPY_PUT);
                             putimage(sx+3,sy,buf,COPY_PUT);} 
            else 
                             { sy=sy+3;              
                               putimage(sx,sy,buf1,COPY_PUT);
                               putimage(sx,sy-3,buf,COPY_PUT); }
             }
         else end=1;
      }while(!end);
     a[i][j]=1;
}