/*
 *          Interactive access to inverse folding routines
 *                  c Ivo Hofacker, Peter Stadler
 *                        Vienna RNA Package
 */

#ifdef HAVE_CONFIG_H
#include "config.h"
#endif

#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include <ctype.h>
#include <unistd.h>
#include <string.h>
#include "ViennaRNA/inverse.h"
#include "ViennaRNA/fold_vars.h"
#include "ViennaRNA/fold.h"
#include "ViennaRNA/part_func.h"
#include "ViennaRNA/utils/basic.h"
#include "ViennaRNA/utils/strings.h"
#include "ViennaRNA/params/io.h"
#include "ViennaRNA/io/file_formats.h"

#include "gengetopt_helpers.h"
#include "RNAinverse_cmdl.h"

#include "ViennaRNA/color_output.inc"

#ifdef dmalloc
#include  "/usr/local/include/dmalloc.h"
#define vrna_alloc(X) calloc(1, (X))
#endif

#define  REPEAT_DEFAULT  100

extern int inv_verbose;

int
main(int  argc,
     char *argv[])
{
  struct RNAinverse_args_info args_info;
  char                        *input_string, *start, *structure, *rstart, *str2,
                              *ParamFile, *c, *ns_bases;
  int                         input_type, i, length, l, hd, sym, pf, mfe, istty, repeat,
                              found;
  double                      energy, kT;

  ParamFile     = NULL;
  energy        = 0.;
  dangles       = 2;
  do_backtrack  = 0;
  pf            = 0;
  mfe           = 0;
  repeat        = 0;
  input_type    = 0;
  input_string  = ns_bases = NULL;
  vrna_init_rand();

  /*
   #############################################
   # check the command line parameters
   #############################################
   */
  if (RNAinverse_cmdline_parser(argc, argv, &args_info) != 0)
    exit(1);

  /* temperature */
  if (args_info.temp_given)
    temperature = args_info.temp_arg;

  /* do not take special tetra loop energies into account */
  if (args_info.noTetra_given)
    tetra_loop = 0;

  /* set dangle model */
  if (args_info.dangles_given) {
    if ((args_info.dangles_arg < 0) || (args_info.dangles_arg > 3))
      vrna_message_warning(
        "required dangle model not implemented, falling back to default dangles=2");
    else
      dangles = args_info.dangles_arg;
  }

  /* do not allow wobble pairs (GU) */
  if (args_info.noGU_given)
    noGU = 1;

  /* do not allow weak closing pairs (AU,GU) */
  if (args_info.noClosingGU_given)
    no_closingGU = 1;

  if (args_info.salt_given)
    salt = args_info.salt_arg;

  /* set energy model */
  if (args_info.energyModel_given)
    energy_set = args_info.energyModel_arg;

  /* take another energy parameter set */
  if (args_info.paramFile_given)
    ParamFile = strdup(args_info.paramFile_arg);

  /* Allow other pairs in addition to the usual AU,GC,and GU pairs */
  if (args_info.nsp_given)
    ns_bases = strdup(args_info.nsp_arg);

  /* alter the alphabet */
  if (args_info.alphabet_given) {
    symbolset = strdup(args_info.alphabet_arg);
    /* symbolset should only have uppercase characters */
    for (l = 0; l < (int)strlen(symbolset); l++)
      symbolset[l] = toupper(symbolset[l]);
  }

  /* set function for optimization */
  if (args_info.function_given) {
    if (strlen(args_info.function_arg) > 2) {
      RNAinverse_cmdline_parser_print_help();
      exit(EXIT_FAILURE);
    } else {
      if ((*args_info.function_arg == 'm') || (*(args_info.function_arg + 1) == 'm'))
        mfe = 1;

      if ((*args_info.function_arg == 'p') || (*(args_info.function_arg + 1) == 'p'))
        pf = 1;
    }
  } else {
    mfe = 1;
  }

  /* set repeat */
  if (args_info.repeat_given)
    repeat = args_info.repeat_arg;

  /* set final cost */
  if (args_info.final_given)
    final_cost = args_info.final_arg;

  /* do we wannabe verbose */
  if (args_info.verbose_given)
    inv_verbose = 1;

  /* get energy parameter file name */
  ggo_get_read_paramFile(args_info, NULL);

  ggo_geometry_settings(args_info, NULL);

  /* free allocated memory of command line data structure */
  RNAinverse_cmdline_parser_free(&args_info);

  kT = (temperature + 273.15) * 1.98717 / 1000.0;

  istty = (isatty(fileno(stdout)) && isatty(fileno(stdin)));


  give_up = (repeat < 0);

  do {
    /*
     ########################################################
     # handle user input from 'stdin'
     ########################################################
     */
    if (istty)
      vrna_message_input_seq("Input structure & start string\n"
                             "(lower case letters for const positions) and 0 or empty line for random start string\n");

    input_type = get_multi_input_line(&input_string, 0);
    /* we are waiting for a structure (i.e. something like a constraint) so we skip all sequences, fasta-headers and misc lines */
    while (input_type & (VRNA_INPUT_SEQUENCE | VRNA_INPUT_MISC | VRNA_INPUT_FASTA_HEADER)) {
      if (!istty && (input_type & VRNA_INPUT_FASTA_HEADER)) {
        /* remove '>' from FASTA header */
        input_string = memmove(input_string, input_string + 1, strlen(input_string));
        print_fasta_header(stdout, input_string);
      }

      free(input_string);
      input_string  = NULL;
      input_type    = get_multi_input_line(&input_string, 0);
    }
    if (input_type & (VRNA_INPUT_QUIT | VRNA_INPUT_ERROR))
      break;

    if (input_type & (VRNA_INPUT_CONSTRAINT)) {
      structure = (char *)vrna_alloc(sizeof(char) * (strlen(input_string) + 1));
      (void)sscanf(input_string, "%s", structure); /* scanf gets rid of trailing junk */
      length = (int)strlen(structure);
      free(input_string);
      input_string  = NULL;
      input_type    = get_multi_input_line(&input_string,
                                           VRNA_INPUT_NOSKIP_BLANK_LINES |
                                           VRNA_INPUT_NOSKIP_COMMENTS);
    }

    if (input_type & VRNA_INPUT_QUIT)
      break;

    start = (char *)vrna_alloc(sizeof(char) * (length + 1));
    /* now we assume to get a sequence (input_string may be empty as well) */
    if (input_type & VRNA_INPUT_SEQUENCE) {
      (void)strncpy(start, input_string, length);
      start[length] = '\0';
      free(input_string);
      input_string = NULL;
    }
    /* fallback to empty start sequence */
    else {
      start[0] = '\0';
    }

    /*
     ########################################################
     # done with 'stdin' handling
     ########################################################
     */

    if (ns_bases != NULL) {
      nonstandards  = vrna_alloc(33);
      c             = ns_bases;
      i             = sym = 0;
      if (*c == '-') {
        sym = 1;
        c++;
      }

      while (*c != '\0') {
        if (*c != ',') {
          nonstandards[i++] = *c++;
          nonstandards[i++] = *c;
          if ((sym) && (*c != *(c - 1))) {
            nonstandards[i++] = *c;
            nonstandards[i++] = *(c - 1);
          }
        }

        c++;
      }
    }

    str2 = (char *)vrna_alloc((unsigned)length + 1);
    if (istty)
      vrna_message_info(stdout, "length = %d", length);

    if (repeat != 0)
      found = (repeat > 0) ? repeat : (-repeat);
    else
      found = 1;

    /* initialize_fold(length); <- obsolete (hopefully commenting this out does not affect anything crucial ;) */

    rstart = (char *)vrna_alloc((unsigned)length + 1);
    while (found > 0) {
      char *string;
      string = (char *)vrna_alloc((unsigned)length + 1);
      strcpy(string, start);
      for (i = 0; i < length; i++) {
        /* lower case characters are kept fixed, any other character
         * not in symbolset is replaced by a random character */
        if (islower(string[i]))
          continue;

        if (string[i] == '\0' || (strchr(symbolset, string[i]) == NULL))
          string[i] = symbolset[vrna_int_urn(0, strlen(symbolset) - 1)];
      }
      strcpy(rstart, string); /* remember start string */

      if (mfe) {
        energy = inverse_fold(string, structure);
        if ((repeat >= 0) || (energy <= 0.0)) {
          found--;
          hd = vrna_hamming_distance(rstart, string);
          char *msg = NULL;

          if (energy > 0) {
            /* no solution found */
            msg = vrna_strdup_printf("  %3d   d= %g", hd, energy);
            if (istty) {
              energy = fold(string, str2);
              printf("%s\n", str2);
            }
          } else {
            msg = vrna_strdup_printf("  %3d", hd);
          }

          print_structure(stdout, string, msg);
          free(msg);
        }
      }

      if (pf) {
        if (!(mfe && give_up && (energy > 0))) {
          /* unless we gave up in the mfe part */
          double prob, min_en, sfact = 1.07;

          /* get a reasonable pf_scale */
          min_en    = fold(string, str2);
          pf_scale  = exp(-(sfact * min_en) / kT / length);
          /* init_pf_fold(length); <- obsolete (hopefully commenting this out does not affect anything crucial ;) */

          energy  = inverse_pf_fold(string, structure);
          prob    = exp(-energy / kT);
          hd      = vrna_hamming_distance(rstart, string);
          char *msg = vrna_strdup_printf("  %3d  (%g)", hd, prob);
          print_structure(stdout, string, msg);
          free(msg);
          free_pf_arrays();
        }

        if (!mfe)
          found--;
      }

      (void)fflush(stdout);
      free(string);
    }
    free(rstart);
    free_arrays();

    free(structure);
    free(str2);
    free(start);
    (void)fflush(stdout);
  } while (1);
  return EXIT_SUCCESS;
}
