/*
-------------------------------------------
Copyright 2005-2006 Erik Lechak
-------------------------------------------

pdb is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.

pdb is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.

You should have received a copy of the GNU General Public License
along with Foobar; if not, write to the Free Software
Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA  02110-1301  USA
*/

#include <stdio.h>
#include <stdlib.h>
#include <string.h>


float atoms[3000][3];
char names[3000][6];


struct map{
  char name[7];
  void (*handler)(char*);
};

char * getString(const char * buffer, int start, int end, char * string){
    char *pstring = string;
    int c;

    if (strlen(buffer) < end){
        *string = '\0';
        return string;
    }

    for (c=start-1; c<=end-1 ; c++){
        if (buffer[c] == ' ' )continue;
        *(pstring++) = buffer[c];
    }
    *pstring='\0';
    return string;
}

char * getName(const char * buffer, char * name){
    getString(buffer,1,7,name);
    return name;
}

float getFloat(const char * buffer, int start, int end){
    char string[32];
    float a;
    getString(buffer,start,end,string);

    a = atof(string);
    //printf("got string '%s'   float %f\n", string, a);
    return a;
}

int getInt(const char * buffer, int start, int end){
    char string[32];
    getString(buffer,start,end,string);
    return atoi(string);
}


void hATOM(char * buffer){
    char atom[5];
    char name[7];
    float x,y,z;
    int serial;

    serial = getInt(buffer, 7,11);
    atoms[serial][0] = x = getFloat(buffer,31,38);
    atoms[serial][1] = y = getFloat(buffer,39,46);
    atoms[serial][2] = z = getFloat(buffer,47,54);
    getString(buffer,13,14,atom);
    getString(buffer,13,16,name);

    strcpy(names[serial], name);

    printf("diagram %s cd @\n", name);
    printf("  move %f %f %f\n", x,y,z);
    printf("  ln /elements/%s %s\n", atom,atom);
    printf("cd ..\n");
}

void hCONECT(char * buffer){
    int self;
    int connection[10];
    int c;

    self = getInt(buffer,7,11);
    connection[0] = getInt(buffer, 12,16);
    connection[1] = getInt(buffer, 17,21);
    connection[2] = getInt(buffer, 22,26);
    connection[3] = getInt(buffer, 27,31);
    connection[4] = getInt(buffer, 32,36);
    connection[5] = getInt(buffer, 27,41);
    connection[6] = getInt(buffer, 42,46);
    connection[7] = getInt(buffer, 47,51);
    connection[8] = getInt(buffer, 52,56);
    connection[9] = getInt(buffer, 57,61);

    for (c=0 ; c < 10; c++){
        if (! connection[c]) continue;

        //printf(">>>>>>%i> %i   -> %i\n",c, self,connection[c]);

        printf("shape %s-%s cd @ ",names[self], names[connection[c]]);
        printf("lines line_width 2 rgb 255 255 255 vertex\n");
        printf("%f %f %f    %f %f %f\n",
            atoms[self][0], atoms[self][1], atoms[self][2],
            atoms[connection[c]][0], atoms[connection[c]][1], atoms[connection[c]][2]
        );

        printf("cd ..\n");
    }
}


struct map handlers[]={
  {"ATOM",hATOM},
  {"HETATM", hATOM},
  {"CONECT", hCONECT},
  {"",NULL}
};


void callHandler(char * name, char * buffer){
    int c=0;
    while(1){
        if (! *(handlers[c].name))break;
        if ( strcmp(handlers[c].name , name)==0 )
            handlers[c].handler(buffer);
        c++;
    }
}



int main(int argc, char **argv){
    char buffer[512];
    char name[8];
    char *pchar;

    FILE * f;

    printf("elements.b\n");
    printf("window ? cd @ color 255 255 255 \n");
    printf("bind <1 mouse motion> rotate_selected\n");
    printf("view ? cd @ origin cc bounds 0 0 0 0 -200 200\n");
    printf("light light1 cd @ position -30 -30 200 cd ..\n");

    if (!( f = fopen(argv[1], "r"))) return 1;

    if ( (pchar = strrchr(argv[1], '/')  )){
        pchar++;
    }else
        pchar = argv[1];


    printf("diagram %s cd @ scale 20 20 20\n", pchar);
    printf("bind <1 mouse press> select\n");


    while(1){
        if (! fgets(buffer, 512,f) ) break;
        if (strlen(buffer) < 6) continue;

        getName(buffer,name);
        callHandler(name,buffer);

    }
    printf("cd ..\n");
    return 0;
}