double JS_MakeDate(double day, double time)
{
if (!_isfinite(day) ||!_isfinite(time))
return GetNan();
return day * 86400000 + time;
}
double JS_MakeTime(int nHour, int nMin, int nSec, int nMs)
{
if (!_isfinite(nHour) ||!_isfinite(nMin) ||!_isfinite(nSec) ||!_isfinite(nMs))
return GetNan();
double h = _toInteger(nHour);
double m = _toInteger(nMin);
double s = _toInteger(nSec);
double milli = _toInteger(nMs);
return h * 3600000 + m * 60000 + s * 1000 + milli;
}
double JS_MakeDay(int nYear, int nMonth, int nDate)
{
if (!_isfinite(nYear) || !_isfinite(nMonth) ||!_isfinite(nDate))
return GetNan();
double y = _toInteger(nYear);
double m = _toInteger(nMonth);
double dt = _toInteger(nDate);
double ym = y + FXSYS_floor((double)m/12);
double mn = _Mod(m ,12);
double t = _TimeFromYearMonth((int)ym,(int)mn);
if (_YearFromTime(t) != ym || _MonthFromTime(t) != mn ||_DateFromTime(t) != 1)
return GetNan();
return _Day(t)+dt-1;
}
double JS_DateParse(const wchar_t* string)
{
v8::Isolate* pIsolate = v8::Isolate::GetCurrent();
v8::Isolate::Scope isolate_scope(pIsolate);
v8::HandleScope scope(pIsolate);
v8::Local<v8::Context> context = pIsolate->GetCurrentContext();
//Use the built-in object method.
v8::Local<v8::Value> v = context->Global()->Get(v8::String::NewFromUtf8(pIsolate, "Date"));
if(v->IsObject())
{
v8::Local<v8::Object> o = v->ToObject();
v = o->Get(v8::String::NewFromUtf8(pIsolate, "parse"));
if(v->IsFunction())
{
v8::Local<v8::Function> funC = v8::Handle<v8::Function>::Cast(v);
const int argc = 1;
v8::Local<v8::String> timeStr = WSToJSString(pIsolate, string);
v8::Handle<v8::Value> argv[argc] = {timeStr};
v = funC->Call(context->Global(), argc, argv);
if(v->IsNumber())
{
double date = v->ToNumber()->Value();
if(!_isfinite(date)) return date;
return date + _getLocalTZA() + _getDaylightSavingTA(date);
}
}
}
return 0;
}
extern void fixGemACF(double *ct, int len)
{
int i, j, b, e;
gmx_bool bBad;
/* Let's separate two things:
* - identification of bad parts
* - patching of bad parts.
*/
b = 0; /* Start of a bad stretch */
e = 0; /* End of a bad stretch */
bBad = FALSE;
/* An acf of binary data must be one at t=0. */
if (abs(ct[0]-1.0) > 1e-6)
{
ct[0] = 1.0;
fprintf(stderr, "|ct[0]-1.0| = %1.6d. Setting ct[0] to 1.0.\n", abs(ct[0]-1.0));
}
for (i=0; i<len; i++)
{
#ifdef HAS_ISFINITE
if (isfinite(ct[i]))
#elif defined(HAS__ISFINITE)
if (_isfinite(ct[i]))
#else
if(1)
#endif
{
if (!bBad)
{
/* Still on a good stretch. Proceed.*/
continue;
}
/* Patch up preceding bad stretch. */
if (i == (len-1))
{
/* It's the tail */
if (b <= 1)
{
gmx_fatal(FARGS, "The ACF is mostly NaN or Inf. Aborting.");
}
patchBadTail(&(ct[b-2]), (len-b)+1);
}
e = i;
patchBadPart(&(ct[b-1]), (e-b)+1);
bBad = FALSE;
}
else
{
if (!bBad)
{
b = i;
bBad = TRUE;
}
}
}
}
static void lincs_warning(FILE *fplog,
gmx_domdec_t *dd,rvec *x,rvec *xprime,t_pbc *pbc,
int ncons,int *bla,real *bllen,real wangle,
int maxwarn,int *warncount)
{
int b,i,j;
rvec v0,v1;
real wfac,d0,d1,cosine;
char buf[STRLEN];
wfac=cos(DEG2RAD*wangle);
sprintf(buf,"bonds that rotated more than %g degrees:\n"
" atom 1 atom 2 angle previous, current, constraint length\n",
wangle);
fprintf(stderr,"%s",buf);
if (fplog)
{
fprintf(fplog,"%s",buf);
}
for(b=0;b<ncons;b++)
{
i = bla[2*b];
j = bla[2*b+1];
if (pbc)
{
pbc_dx_aiuc(pbc,x[i],x[j],v0);
pbc_dx_aiuc(pbc,xprime[i],xprime[j],v1);
}
else
{
rvec_sub(x[i],x[j],v0);
rvec_sub(xprime[i],xprime[j],v1);
}
d0 = norm(v0);
d1 = norm(v1);
cosine = iprod(v0,v1)/(d0*d1);
if (cosine < wfac)
{
sprintf(buf," %6d %6d %5.1f %8.4f %8.4f %8.4f\n",
ddglatnr(dd,i),ddglatnr(dd,j),
RAD2DEG*acos(cosine),d0,d1,bllen[b]);
fprintf(stderr,"%s",buf);
if (fplog)
{
fprintf(fplog,"%s",buf);
}
#ifdef HAS_ISFINITE
if (!isfinite(d1))
gmx_fatal(FARGS,"Bond length not finite.")
#else
#ifdef HAS__ISFINITE
if (!_isfinite(d1))
gmx_fatal(FARGS,"Bond length not finite.")
#endif
#endif
(*warncount)++;
}
}
