PKINHY36.c

/************************** PKINHY36.c ***************************************/
/*downloaded 071002 from http://cci.lbl.gov/hybrid_36/ 
  (which is slightly different from version a few weeks earlier)
  as suggested below:
  PKINHY36.h mod of hybrid_36_c.h for prototypes of hy36encode(), hy36decode() 
  and the include from PHENIX iotbx is commented out, 071002 dcr
*/

/*! C port of the hy36encode() and hy36decode() functions in the
    hybrid_36.py Python prototype/reference implementation.
    See the Python script for more information.

    This file has no external dependencies, NOT even standard C headers.
    Optionally, use hybrid_36_c.h, or simply copy the declarations
    into your code.

    This file is unrestricted Open Source (cctbx.sf.net).
    Please send corrections and enhancements to cctbx@cci.lbl.gov .

    See also: http://cci.lbl.gov/hybrid_36/

    Ralf W. Grosse-Kunstleve, Feb 2007.
 */

/* The following #include may be commented out.
   It is here only to enforce consistency of the declarations
   and the definitions.
 */
/* #include <iotbx/pdb/hybrid_36_c.h> */ /*071002*/

/* All static functions below are implementation details
   (and not accessible from other translation units).
 */

#include "PKINHY36.h"   /*071002 dcr*/

static
const char*
digits_upper() { return "0123456789ABCDEFGHIJKLMNOPQRSTUVWXYZ"; }

static
const char*
digits_lower() { return "0123456789abcdefghijklmnopqrstuvwxyz"; }

static
const char*
value_out_of_range() { return "value out of range."; }

static
const char* invalid_number_literal() { return "invalid number literal."; }

static
const char* unsupported_width() { return "unsupported width."; }

static
void
fill_with_stars(unsigned width, char* result)
{
  while (width) {
    *result++ = '*';
    width--;
  }
  *result = '\0';
}

static
void
encode_pure(
  const char* digits,
  unsigned digits_size,
  unsigned width,
  int value,
  char* result)
{
  char buf[16];
  int rest;
  unsigned i, j;
  i = 0;
  j = 0;
  if (value < 0) {
    j = 1;
    value = -value;
  }
  while (1) {
    rest = value / digits_size;
    buf[i++] = digits[value - rest * digits_size];
    if (rest == 0) break;
    value = rest;
  }
  if (j) buf[i++] = '-';
  for(j=i;j<width;j++) *result++ = ' ';
  while (i != 0) *result++ = buf[--i];
  *result = '\0';
}

static
const char*
decode_pure(
  const int* digits_values,
  unsigned digits_size,
  const char* s,
  unsigned s_size,
  int* result)
{
  int si, dv;
  int have_minus = 0;
  int have_non_blank = 0;
  int value = 0;
  unsigned i = 0;
  for(;i<s_size;i++) {
    si = s[i];
    if (si < 0 || si > 127) {
      *result = 0;
      return invalid_number_literal();
    }
    if (si == ' ') {
      if (!have_non_blank) continue;
      value *= digits_size;
    }
    else if (si == '-') {
      if (have_non_blank) {
        *result = 0;
        return invalid_number_literal();
      }
      have_non_blank = 1;
      have_minus = 1;
      continue;
    }
    else {
      have_non_blank = 1;
      dv = digits_values[si];
      if (dv < 0 || dv >= digits_size) {
        *result = 0;
        return invalid_number_literal();
      }
      value *= digits_size;
      value += dv;
    }
  }
  if (have_minus) value = -value;
  *result = value;
  return 0;
}

/*! hybrid-36 encoder: converts integer value to string result

      width: must be 4 (e.g. for residue sequence numbers)
                  or 5 (e.g. for atom serial numbers)

      value: integer value to be converted

      result: pointer to char array of size width+1 or greater
              on return result is null-terminated

      return value: pointer to error message, if any,
                    or 0 on success

    Example usage (from C++):
      char result[4+1];
      const char* errmsg = hy36encode(4, 12345, result);
      if (errmsg) throw std::runtime_error(errmsg);
 */
const char*
hy36encode(unsigned width, int value, char* result)
{
  int i = value;
  if (width == 4U) {
    if (i >= -999) {
      if (i < 10000) {
        encode_pure(digits_upper(), 10U, 4U, i, result);
        return 0;
      }
      i -= 10000;
      if (i < 1213056 /* 26*36**3 */) {
        i += 466560 /* 10*36**3 */;
        encode_pure(digits_upper(), 36U, 0U, i, result);
        return 0;
      }
      i -= 1213056;
      if (i < 1213056) {
        i += 466560;
        encode_pure(digits_lower(), 36U, 0U, i, result);
        return 0;
      }
    }
  }
  else if (width == 5U) {
    if (i >= -9999) {
      if (i < 100000) {
        encode_pure(digits_upper(), 10U, 5U, i, result);
        return 0;
      }
      i -= 100000;
      if (i < 43670016 /* 26*36**4 */) {
        i += 16796160 /* 10*36**4 */;
        encode_pure(digits_upper(), 36U, 0U, i, result);
        return 0;
      }
      i -= 43670016;
      if (i < 43670016) {
        i += 16796160;
        encode_pure(digits_lower(), 36U, 0U, i, result);
        return 0;
      }
    }
  }
  else {
    fill_with_stars(width, result);
    return unsupported_width();
  }
  fill_with_stars(width, result);
  return value_out_of_range();
}

/*! hybrid-36 decoder: converts string s to integer result

      width: must be 4 (e.g. for residue sequence numbers)
                  or 5 (e.g. for atom serial numbers)

      s: string to be converted
         does not have to be null-terminated

      s_size: size of s
              must be equal to width, or an error message is
              returned otherwise

      result: integer holding the conversion result

      return value: pointer to error message, if any,
                    or 0 on success

    Example usage (from C++):
      int result;
      const char* errmsg = hy36decode(width, "A1T5", 4, &result);
      if (errmsg) throw std::runtime_error(errmsg);
 */
const char*
hy36decode(unsigned width, const char* s, unsigned s_size, int* result)
{
  static int first_call = 1;
  static int digits_values_upper[128U];
  static int digits_values_lower[128U];
  static const char*
    ie_range = "internal error hy36decode: integer value out of range.";
  unsigned i;
  int di;
  const char* errmsg;
  if (first_call) {
    first_call = 0;
    for(i=0;i<128U;i++) digits_values_upper[i] = -1;
    for(i=0;i<128U;i++) digits_values_lower[i] = -1;
    for(i=0;i<36U;i++) {
      di = digits_upper()[i];
      if (di < 0 || di > 127) {
        *result = 0;
        return ie_range;
      }
      digits_values_upper[di] = i;
    }
    for(i=0;i<36U;i++) {
      di = digits_lower()[i];
      if (di < 0 || di > 127) {
        *result = 0;
        return ie_range;
      }
      digits_values_lower[di] = i;
    }
  }
  if (s_size == width) {
    di = s[0];
    if (di >= 0 && di <= 127) {
      if (digits_values_upper[di] >= 10) {
        errmsg = decode_pure(digits_values_upper, 36U, s, s_size, result);
        if (errmsg == 0) {
          /* result - 10*36**(width-1) + 10**width */
          if      (width == 4U) (*result) -= 456560;
          else if (width == 5U) (*result) -= 16696160;
          else {
            *result = 0;
            return unsupported_width();
          }
          return 0;
        }
      }
      else if (digits_values_lower[di] >= 10) {
        errmsg = decode_pure(digits_values_lower, 36U, s, s_size, result);
        if (errmsg == 0) {
          /* result + 16*36**(width-1) + 10**width */
          if      (width == 4U) (*result) += 756496;
          else if (width == 5U) (*result) += 26973856;
          else {
            *result = 0;
            return unsupported_width();
          }
          return 0;
        }
      }
      else {
        errmsg = decode_pure(digits_values_upper, 10U, s, s_size, result);
        if (errmsg) return errmsg;
        if (!(width == 4U || width == 5U)) {
          *result = 0;
          return unsupported_width();
        }
        return 0;
      }
    }
  }
  *result = 0;
  return invalid_number_literal();
}