int stristart(const char *s1, const char *s2) {
int i=0;
while (s1[i] && UCASE(s1[i]) == UCASE(s2[i])) i++;
if (s1[i]==0) {
return 0;
}
else return 2*(UCASE(s1[i]) < UCASE(s2[i]))-1;
}
INTERNAL char tochar(char h, char l)
{
char p;
h = (char) UCASE(h);
l = (char) UCASE(l);
h -= '0';
if (h > 9)
h -= 7;
l -= '0';
if (l > 9)
l -= 7;
p = h * 16 + l;
return p;
}
int OutputAlignmentMsf(MultipleAlignment *ma, char *filename) {
FILE *out = fopen(filename, "wb");
SequenceAlignment *sa;
int i, j, k;
if (out) {
char t[100];
time_t now = time(0);
char ** names = (char**) malloc(sizeof(char*) * ma->numChains);
char *period = strrchr(filename, '.');
sa = GetSequenceAlignment(ma);
*period = 0;
fprintf(out, "MSF of: %s from: 1 to: %4i\n", filename, sa->seqs[0]->length);
*period = '.';
strftime(t, 100, "%d-%b-%y %X", localtime(&now));
/* asctime is not thread-safe, and Windows has no thread-safe version of it. */
fprintf(out, "%s MSF: %4i Type: P %s Check: 9999 ..\n\n", filename, sa->seqs[0]->length, t);
for (i=0; i<ma->numChains; i++) {
char *id = ma->chains[i]->pdb->idString;
int len = strlen(id);
if (len > 13) len = 12;
names[i] = (char*) calloc(16, sizeof(char));
memset(names[i], ' ', 13 * sizeof(char));
memcpy(names[i], id, len);
}
for (i=ma->numChains-1; i>=0; i--) {
char *id = ma->chains[i]->pdb->idString;
int chainCount = 0;
for (j=i-1; j>=0; j--) {
if (!strcmp(names[i], names[j])) {
names[j][14] = 1;
names[i][14] = 1;
if (ma->chains[i]->pdb->chainName == ma->chains[j]->pdb->chainName) {
chainCount++;
names[j][15] = 1;
names[i][15] = 1;
}
}
}
if (names[i][15] || names[i][14]) {
int len = 13;
char *end = strchr(id, ':');
char chain = ma->chains[i]->pdb->chainName;
if (!chain || chain == 0) chain = '_';
if (!end) end = strchr(id, ' ');
if (end) len = (int)(end-id);
if (names[i][15]) {
if (len > 8) len = 8;
if (chainCount > 100) len --;
if (chainCount > 1000) len --;
if (chainCount > 10000) len --;
chainCount %= 100000;
sprintf(names[i] + len, ":%c%i", ma->chains[i]->pdb->chainName, chainCount);
}
else {
if (len > 10) len = 10;
sprintf(names[i] + len, ":%c", ma->chains[i]->pdb->chainName);
}
}
}
for (i=0; i<ma->numChains; i++) {
int count = 0;
int check = 0;
for (j=0; j<sa->seqs[i]->length; j++) {
count++;
check += count * UCASE(sa->seqs[i]->seq[j]);
count = count%57;
}
check %= 10000;
fprintf(out, "Name: %-13s Len: %4i Check: %4i Weight: 1.00\n", names[i], sa->seqs[i]->length, check);
}
fprintf(out, "\n//\n\n");
for (i=0; i < sa->seqs[0]->length; i+=50) {
for (j=0; j < ma->numChains; j++) {
fprintf(out, "%-13s", names[j]);
for (k=i; k<i+50 && k < sa->seqs[j]->length; k++) {
char c = sa->seqs[j]->seq[k];
if (c == '-') c = '.';
fputc(c, out);
if (k % 10 == 9 && k<i+49)
fputc(' ', out);
}
fputc('\n', out);
}
fputc('\n', out);
}
for (i=0; i<ma->numChains; i++) {
free(names[i]);
}
free(names);
FreeSequenceAlignment(sa);
fclose(out);
return 1;
}
return 0;
}
/*
* wstring_to_decimal is modelled on string_to_decimal, the majority
* of which can be found in the common file char_to_decimal.h. The
* significant differences are:
*
* 1. This code recognizes only C99 (hex fp strings and restricted
* characters in parentheses following "nan") vs. C90 modes, no
* Fortran conventions.
*
* 2. *pform is an int rather than an enum decimal_string_form. On
* return, *pform == 0 if no valid token was found, *pform < 0
* if a C99 hex fp string was found, and *pform > 0 if a decimal
* string was found.
*/
static void
wstring_to_decimal(const wchar_t **ppc, int c99, decimal_record *pd,
int *pform)
{
const wchar_t *cp = *ppc; /* last character seen */
const wchar_t *good = cp - 1; /* last character accepted */
wchar_t current; /* always equal to *cp */
int sigfound;
int ids = 0;
int i, agree;
int nzbp = 0; /* number of zeros before point */
int nzap = 0; /* number of zeros after point */
char decpt;
int nfast, nfastlimit;
char *pfast;
int e, esign;
int expshift = 0;
int form;
/*
* This routine assumes that the radix point is a single
* ASCII character, so that following this assignment, the
* condition (current == decpt) will correctly detect it.
*/
decpt = *(localeconv()->decimal_point);
/* input is invalid until we find something */
pd->fpclass = fp_signaling;
pd->sign = 0;
pd->exponent = 0;
pd->ds[0] = '\0';
pd->more = 0;
pd->ndigits = 0;
*pform = form = 0;
/* skip white space */
current = *cp;
while (iswspace((wint_t)current))
current = *++cp;
/* look for optional leading sign */
if (current == L'+') {
current = *++cp;
} else if (current == L'-') {
pd->sign = 1;
current = *++cp;
}
sigfound = -1; /* -1 = no digits found yet */
/*
* Admissible first non-white-space, non-sign characters are
* 0-9, i, I, n, N, or the radix point.
*/
if (L'1' <= current && current <= L'9') {
pd->fpclass = fp_normal;
form = 1;
good = cp;
sigfound = 1; /* 1 = significant digits found */
pd->ds[ids++] = (char)current;
current = *++cp;
} else {
switch (current) {
case L'0':
/*
* Accept the leading zero and set pd->fpclass
* accordingly, but don't set sigfound until we
* determine that this isn't a "fake" hex string
* (i.e., 0x.p...).
*/
good = cp;
pd->fpclass = fp_zero;
if (c99) {
/* look for a hex fp string */
current = *++cp;
if (current == L'X' || current == L'x') {
/* assume hex fp form */
form = -1;
expshift = 2;
current = *++cp;
/*
* Only a digit or radix point can
* follow "0x".
*/
if (NZDIGIT(current)) {
pd->fpclass = fp_normal;
good = cp;
sigfound = 1;
pd->ds[ids++] = (char)current;
current = *++cp;
break;
} else if (current == (wchar_t)decpt) {
current = *++cp;
goto afterpoint;
} else if (current != L'0') {
/* not hex fp after all */
form = 1;
expshift = 0;
goto done;
}
} else {
form = 1;
}
} else {
form = 1;
}
/* skip all leading zeros */
while (current == L'0')
current = *++cp;
good = cp - 1;
sigfound = 0; /* 0 = only zeros found so far */
break;
case L'i':
case L'I':
/* look for inf or infinity */
current = *++cp;
agree = 1;
while (agree <= 7 &&
UCASE(current) == (wchar_t)infstring[agree]) {
current = *++cp;
agree++;
}
if (agree >= 3) {
/* found valid infinity */
pd->fpclass = fp_infinity;
form = 1;
good = (agree < 8)? cp + 2 - agree : cp - 1;
__inf_read = 1;
}
goto done;
case L'n':
case L'N':
/* look for nan or nan(string) */
current = *++cp;
agree = 1;
while (agree <= 2 &&
UCASE(current) == (wchar_t)nanstring[agree]) {
current = *++cp;
agree++;
}
if (agree == 3) {
/* found valid NaN */
pd->fpclass = fp_quiet;
form = 1;
good = cp - 1;
__nan_read = 1;
if (current == L'(') {
/* accept parenthesized string */
if (c99) {
do {
current = *++cp;
} while (iswalnum(current) ||
current == L'_');
} else {
do {
current = *++cp;
} while (current &&
current != L')');
}
if (current == L')')
good = cp;
}
}
goto done;
default:
if (current == (wchar_t)decpt) {
/*
* Don't accept the radix point just yet;
* we need to see at least one digit.
*/
current = *++cp;
goto afterpoint;
}
goto done;
}
}
nextnumber:
/*
* Admissible characters after the first digit are a valid
* digit, an exponent delimiter (E or e for decimal form,
* P or p for hex form), or the radix point. (Note that we
* can't get here unless we've already found a digit.)
*/
if (NZDIGIT(current)) {
/*
* Found another nonzero digit. If there's enough room
* in pd->ds, store any intervening zeros we've found so far
* and then store this digit. Otherwise, stop storing
* digits in pd->ds and set pd->more.
*/
if (ids + nzbp + 2 < DECIMAL_STRING_LENGTH) {
for (i = 0; i < nzbp; i++)
pd->ds[ids++] = '0';
pd->ds[ids++] = (char)current;
} else {
pd->exponent += (nzbp + 1) << expshift;
pd->more = 1;
if (ids < DECIMAL_STRING_LENGTH) {
pd->ds[ids] = '\0';
pd->ndigits = ids;
/* don't store any more digits */
ids = DECIMAL_STRING_LENGTH;
}
}
pd->fpclass = fp_normal;
sigfound = 1;
nzbp = 0;
current = *++cp;
/*
* Use an optimized loop to grab a consecutive sequence
* of nonzero digits quickly.
*/
nfastlimit = DECIMAL_STRING_LENGTH - 3 - ids;
for (nfast = 0, pfast = &(pd->ds[ids]);
nfast < nfastlimit && NZDIGIT(current);
nfast++) {
*pfast++ = (char)current;
current = *++cp;
}
ids += nfast;
if (current == L'0')
goto nextnumberzero; /* common case */
/* advance good to the last accepted digit */
good = cp - 1;
goto nextnumber;
} else {
switch (current) {
case L'0':
nextnumberzero:
/*
* Count zeros before the radix point. Later we
* will either put these zeros into pd->ds or add
* nzbp to pd->exponent to account for them.
*/
while (current == L'0') {
nzbp++;
current = *++cp;
}
good = cp - 1;
goto nextnumber;
case L'E':
case L'e':
if (form < 0)
goto done;
goto exponent;
case L'P':
case L'p':
if (form > 0)
goto done;
goto exponent;
default:
if (current == decpt) {
/* accept the radix point */
good = cp;
current = *++cp;
goto afterpoint;
}
goto done;
}
}
afterpoint:
/*
* Admissible characters after the radix point are a valid digit
* or an exponent delimiter. (Note that it is possible to get
* here even though we haven't found any digits yet.)
*/
if (NZDIGIT(current)) {
if (form == 0)
form = 1;
if (sigfound < 1) {
/* no significant digits found until now */
pd->fpclass = fp_normal;
sigfound = 1;
pd->ds[ids++] = (char)current;
pd->exponent = (-(nzap + 1)) << expshift;
} else {
/* significant digits have been found */
if (ids + nzbp + nzap + 2 < DECIMAL_STRING_LENGTH) {
for (i = 0; i < nzbp + nzap; i++)
pd->ds[ids++] = '0';
pd->ds[ids++] = (char)current;
pd->exponent -= (nzap + 1) << expshift;
} else {
pd->exponent += nzbp << expshift;
pd->more = 1;
if (ids < DECIMAL_STRING_LENGTH) {
pd->ds[ids] = '\0';
pd->ndigits = ids;
/* don't store any more digits */
ids = DECIMAL_STRING_LENGTH;
}
}
}
nzbp = 0;
nzap = 0;
current = *++cp;
/*
* Use an optimized loop to grab a consecutive sequence
* of nonzero digits quickly.
*/
nfastlimit = DECIMAL_STRING_LENGTH - 3 - ids;
for (nfast = 0, pfast = &(pd->ds[ids]);
nfast < nfastlimit && NZDIGIT(current);
nfast++) {
*pfast++ = (char)current;
current = *++cp;
}
ids += nfast;
pd->exponent -= nfast << expshift;
if (current == L'0')
goto zeroafterpoint;
/* advance good to the last accepted digit */
good = cp - 1;
goto afterpoint;
} else {
switch (current) {
case L'0':
if (form == 0)
form = 1;
if (sigfound == -1) {
pd->fpclass = fp_zero;
sigfound = 0;
}
zeroafterpoint:
/*
* Count zeros after the radix point. If we find
* any more nonzero digits later, we will put these
* zeros into pd->ds and decrease pd->exponent by
* nzap.
*/
while (current == L'0') {
nzap++;
current = *++cp;
}
good = cp - 1;
goto afterpoint;
case L'E':
case L'e':
/* don't accept exponent without preceding digits */
if (sigfound == -1 || form < 0)
goto done;
break;
case L'P':
case L'p':
/* don't accept exponent without preceding digits */
if (sigfound == -1 || form > 0)
goto done;
break;
default:
goto done;
}
}
exponent:
e = 0;
esign = 0;
/* look for optional exponent sign */
current = *++cp;
if (current == L'+') {
current = *++cp;
} else if (current == L'-') {
esign = 1;
current = *++cp;
}
/*
* Accumulate explicit exponent. Note that if we don't find at
* least one digit, good won't be updated and e will remain 0.
* Also, we keep e from getting too large so we don't overflow
* the range of int (but notice that the threshold is large
* enough that any larger e would cause the result to underflow
* or overflow anyway).
*/
while (L'0' <= current && current <= L'9') {
good = cp;
if (e <= 1000000)
e = 10 * e + current - L'0';
current = *++cp;
}
if (esign)
pd->exponent -= e;
else
pd->exponent += e;
done:
/*
* If we found any zeros before the radix point that were not
* accounted for earlier, adjust the exponent. (This is only
* relevant when pd->fpclass == fp_normal, but it's harmless
* in all other cases.)
*/
pd->exponent += nzbp << expshift;
/* terminate pd->ds if we haven't already */
if (ids < DECIMAL_STRING_LENGTH) {
pd->ds[ids] = '\0';
pd->ndigits = ids;
}
/*
* If we accepted any characters, advance *ppc to point to the
* first character we didn't accept; otherwise, pass back a
* signaling nan.
*/
if (good >= *ppc) {
*ppc = good + 1;
} else {
pd->fpclass = fp_signaling;
pd->sign = 0;
form = 0;
}
*pform = form;
}
