void comp_frame(FILE *fp, t_trxframe *fr1, t_trxframe *fr2,
gmx_bool bRMSD, real ftol,real abstol)
{
fprintf(fp,"\n");
cmp_int(fp,"flags",-1,fr1->flags,fr2->flags);
cmp_int(fp,"not_ok",-1,fr1->not_ok,fr2->not_ok);
cmp_int(fp,"natoms",-1,fr1->natoms,fr2->natoms);
cmp_real(fp,"t0",-1,fr1->t0,fr2->t0,ftol,abstol);
if (cmp_bool(fp,"bTitle",-1,fr1->bTitle,fr2->bTitle))
cmp_str(fp,"title", -1, fr1->title, fr2->title);
if (cmp_bool(fp,"bStep",-1,fr1->bStep,fr2->bStep))
cmp_int(fp,"step",-1,fr1->step,fr2->step);
cmp_int(fp,"step",-1,fr1->step,fr2->step);
if (cmp_bool(fp,"bTime",-1,fr1->bTime,fr2->bTime))
cmp_real(fp,"time",-1,fr1->time,fr2->time,ftol,abstol);
if (cmp_bool(fp,"bLambda",-1,fr1->bLambda,fr2->bLambda))
cmp_real(fp,"lambda",-1,fr1->lambda,fr2->lambda,ftol,abstol);
if (cmp_bool(fp,"bAtoms",-1,fr1->bAtoms,fr2->bAtoms))
cmp_atoms(fp,fr1->atoms,fr2->atoms,ftol,abstol);
if (cmp_bool(fp,"bPrec",-1,fr1->bPrec,fr2->bPrec))
cmp_real(fp,"prec",-1,fr1->prec,fr2->prec,ftol,abstol);
if (cmp_bool(fp,"bX",-1,fr1->bX,fr2->bX))
cmp_rvecs(fp,"x",min(fr1->natoms,fr2->natoms),fr1->x,fr2->x,bRMSD,ftol,abstol);
if (cmp_bool(fp,"bV",-1,fr1->bV,fr2->bV))
cmp_rvecs(fp,"v",min(fr1->natoms,fr2->natoms),fr1->v,fr2->v,bRMSD,ftol,abstol);
if (cmp_bool(fp,"bF",-1,fr1->bF,fr2->bF))
cmp_rvecs(fp,"f",min(fr1->natoms,fr2->natoms),fr1->f,fr2->f,bRMSD,ftol,abstol);
if (cmp_bool(fp,"bBox",-1,fr1->bBox,fr2->bBox))
cmp_rvecs(fp,"box",3,fr1->box,fr2->box,FALSE,ftol,abstol);
}
static void cmp_top(FILE *fp,t_topology *t1,t_topology *t2,real ftol, real abstol)
{
int i;
fprintf(fp,"comparing top\n");
if (t2) {
cmp_idef(fp,&(t1->idef),&(t2->idef),ftol,abstol);
cmp_atoms(fp,&(t1->atoms),&(t2->atoms),ftol,abstol);
cmp_block(fp,&t1->cgs,&t2->cgs,"cgs");
cmp_block(fp,&t1->mols,&t2->mols,"mols");
cmp_blocka(fp,&t1->excls,&t2->excls,"excls");
} else {
cmp_idef(fp,&(t1->idef),NULL,ftol,abstol);
cmp_atoms(fp,&(t1->atoms),NULL,ftol,abstol);
}
}
void cmp_top(FILE *fp, const t_topology *t1, const t_topology *t2, real ftol, real abstol)
{
fprintf(fp, "comparing top\n");
if (t2)
{
cmp_idef(fp, &(t1->idef), &(t2->idef), ftol, abstol);
cmp_atoms(fp, &(t1->atoms), &(t2->atoms), ftol, abstol);
cmp_block(fp, &t1->cgs, &t2->cgs, "cgs");
cmp_block(fp, &t1->mols, &t2->mols, "mols");
cmp_bool(fp, "bIntermolecularInteractions", -1, t1->bIntermolecularInteractions, t2->bIntermolecularInteractions);
cmp_blocka(fp, &t1->excls, &t2->excls, "excls");
}
else
{
cmp_idef(fp, &(t1->idef), NULL, ftol, abstol);
cmp_atoms(fp, &(t1->atoms), NULL, ftol, abstol);
}
}
inline static Int compare(Term t1, Term t2) /* compare terms t1 and t2 */
{
if (t1 == t2)
return 0;
if (IsVarTerm(t1)) {
if (IsVarTerm(t2))
return Signed(t1) - Signed(t2);
return -1;
} else if (IsVarTerm(t2)) {
/* get rid of variables */
return 1;
}
if (IsAtomOrIntTerm(t1)) {
if (IsAtomTerm(t1)) {
if (IsAtomTerm(t2))
return cmp_atoms(AtomOfTerm(t1), AtomOfTerm(t2));
if (IsPrimitiveTerm(t2))
return 1;
if (IsStringTerm(t2))
return 1;
return -1;
} else {
if (IsIntTerm(t2)) {
return IntOfTerm(t1) - IntOfTerm(t2);
}
if (IsApplTerm(t2)) {
Functor fun2 = FunctorOfTerm(t2);
switch ((CELL)fun2) {
case double_e:
return 1;
case long_int_e:
return IntOfTerm(t1) - LongIntOfTerm(t2);
#ifdef USE_GMP
case big_int_e:
return Yap_gmp_tcmp_int_big(IntOfTerm(t1), t2);
#endif
case db_ref_e:
return 1;
case string_e:
return -1;
}
}
return -1;
}
} else if (IsPairTerm(t1)) {
if (IsApplTerm(t2)) {
Functor f = FunctorOfTerm(t2);
if (IsExtensionFunctor(f))
return 1;
else {
if (f != FunctorDot)
return strcmp(".", RepAtom(NameOfFunctor(f))->StrOfAE);
else {
return compare_complex(RepPair(t1) - 1, RepPair(t1) + 1, RepAppl(t2));
}
}
}
if (IsPairTerm(t2)) {
return (
compare_complex(RepPair(t1) - 1, RepPair(t1) + 1, RepPair(t2) - 1));
} else
return 1;
} else {
/* compound term */
Functor fun1 = FunctorOfTerm(t1);
if (IsExtensionFunctor(fun1)) {
/* float, long, big, dbref */
switch ((CELL)fun1) {
case double_e: {
if (IsFloatTerm(t2))
return (rfloat(FloatOfTerm(t1) - FloatOfTerm(t2)));
if (IsRefTerm(t2))
return 1;
return -1;
}
case long_int_e: {
if (IsIntTerm(t2))
return LongIntOfTerm(t1) - IntOfTerm(t2);
if (IsFloatTerm(t2)) {
return 1;
}
if (IsLongIntTerm(t2))
return LongIntOfTerm(t1) - LongIntOfTerm(t2);
#ifdef USE_GMP
if (IsBigIntTerm(t2)) {
return Yap_gmp_tcmp_int_big(LongIntOfTerm(t1), t2);
}
#endif
if (IsRefTerm(t2))
return 1;
return -1;
}
#ifdef USE_GMP
case big_int_e: {
if (IsIntTerm(t2))
return Yap_gmp_tcmp_big_int(t1, IntOfTerm(t2));
if (IsFloatTerm(t2)) {
return 1;
}
if (IsLongIntTerm(t2))
return Yap_gmp_tcmp_big_int(t1, LongIntOfTerm(t2));
if (IsBigIntTerm(t2)) {
return Yap_gmp_tcmp_big_big(t1, t2);
}
if (IsRefTerm(t2))
return 1;
return -1;
}
#endif
case string_e: {
if (IsApplTerm(t2)) {
Functor fun2 = FunctorOfTerm(t2);
switch ((CELL)fun2) {
case double_e:
return 1;
case long_int_e:
return 1;
#ifdef USE_GMP
case big_int_e:
return 1;
#endif
case db_ref_e:
return 1;
case string_e:
return strcmp((char *)StringOfTerm(t1), (char *)StringOfTerm(t2));
}
return -1;
}
return -1;
}
case db_ref_e:
if (IsRefTerm(t2))
return Unsigned(RefOfTerm(t2)) - Unsigned(RefOfTerm(t1));
return -1;
}
}
if (!IsApplTerm(t2)) {
if (IsPairTerm(t2)) {
Int out;
Functor f = FunctorOfTerm(t1);
if (!(out = ArityOfFunctor(f)) - 2)
out = strcmp((char *)RepAtom(NameOfFunctor(f))->StrOfAE, ".");
return out;
}
return 1;
} else {
Functor fun2 = FunctorOfTerm(t2);
Int r;
if (IsExtensionFunctor(fun2)) {
return 1;
}
r = ArityOfFunctor(fun1) - ArityOfFunctor(fun2);
if (r)
return r;
r = cmp_atoms(NameOfFunctor(fun1), NameOfFunctor(fun2));
if (r)
return r;
else
return (compare_complex(RepAppl(t1), RepAppl(t1) + ArityOfFunctor(fun1),
RepAppl(t2)));
}
}
}
static Int compare_complex(register CELL *pt0, register CELL *pt0_end,
register CELL *pt1) {
CACHE_REGS
register CELL **to_visit = (CELL **)HR;
register Int out = 0;
loop:
while (pt0 < pt0_end) {
register CELL d0, d1;
++pt0;
++pt1;
d0 = Derefa(pt0);
d1 = Derefa(pt1);
if (IsVarTerm(d0)) {
if (IsVarTerm(d1)) {
out = Signed(d0) - Signed(d1);
if (out)
goto done;
} else {
out = -1;
goto done;
}
} else if (IsVarTerm(d1)) {
out = 1;
goto done;
} else {
if (d0 == d1)
continue;
else if (IsAtomTerm(d0)) {
if (IsAtomTerm(d1))
out = cmp_atoms(AtomOfTerm(d0), AtomOfTerm(d1));
else if (IsPrimitiveTerm(d1))
out = 1;
else
out = -1;
/* I know out must be != 0 */
goto done;
} else if (IsIntTerm(d0)) {
if (IsIntTerm(d1))
out = IntOfTerm(d0) - IntOfTerm(d1);
else if (IsFloatTerm(d1)) {
out = 1;
} else if (IsLongIntTerm(d1)) {
out = IntOfTerm(d0) - LongIntOfTerm(d1);
#ifdef USE_GMP
} else if (IsBigIntTerm(d1)) {
out = Yap_gmp_tcmp_int_big(IntOfTerm(d0), d1);
#endif
} else if (IsRefTerm(d1))
out = 1;
else
out = -1;
if (out != 0)
goto done;
} else if (IsFloatTerm(d0)) {
if (IsFloatTerm(d1)) {
out = rfloat(FloatOfTerm(d0) - FloatOfTerm(d1));
} else if (IsRefTerm(d1)) {
out = 1;
} else {
out = -1;
}
if (out != 0)
goto done;
} else if (IsStringTerm(d0)) {
if (IsStringTerm(d1)) {
out = strcmp((char *)StringOfTerm(d0), (char *)StringOfTerm(d1));
} else if (IsIntTerm(d1))
out = 1;
else if (IsFloatTerm(d1)) {
out = 1;
} else if (IsLongIntTerm(d1)) {
out = 1;
#ifdef USE_GMP
} else if (IsBigIntTerm(d1)) {
out = 1;
#endif
} else if (IsRefTerm(d1)) {
out = 1;
} else {
out = -1;
}
if (out != 0)
goto done;
} else if (IsLongIntTerm(d0)) {
if (IsIntTerm(d1))
out = LongIntOfTerm(d0) - IntOfTerm(d1);
else if (IsFloatTerm(d1)) {
out = 1;
} else if (IsLongIntTerm(d1)) {
out = LongIntOfTerm(d0) - LongIntOfTerm(d1);
#ifdef USE_GMP
} else if (IsBigIntTerm(d1)) {
out = Yap_gmp_tcmp_int_big(LongIntOfTerm(d0), d1);
#endif
} else if (IsRefTerm(d1)) {
out = 1;
} else {
out = -1;
}
if (out != 0)
goto done;
}
#ifdef USE_GMP
else if (IsBigIntTerm(d0)) {
if (IsIntTerm(d1)) {
out = Yap_gmp_tcmp_big_int(d0, IntOfTerm(d1));
} else if (IsFloatTerm(d1)) {
out = 1;
} else if (IsLongIntTerm(d1)) {
out = Yap_gmp_tcmp_big_int(d0, LongIntOfTerm(d1));
} else if (IsBigIntTerm(d1)) {
out = Yap_gmp_tcmp_big_big(d0, d1);
} else if (IsRefTerm(d1))
out = 1;
else
out = -1;
if (out != 0)
goto done;
}
#endif
else if (IsPairTerm(d0)) {
if (!IsPairTerm(d1)) {
if (IsApplTerm(d1)) {
Functor f = FunctorOfTerm(d1);
if (IsExtensionFunctor(f))
out = 1;
else if (!(out = 2 - ArityOfFunctor(f)))
out = strcmp(".", (char *)RepAtom(NameOfFunctor(f))->StrOfAE);
} else
out = 1;
goto done;
}
#ifdef RATIONAL_TREES
to_visit[0] = pt0;
to_visit[1] = pt0_end;
to_visit[2] = pt1;
to_visit[3] = (CELL *)*pt0;
to_visit += 4;
*pt0 = d1;
#else
/* store the terms to visit */
if (pt0 < pt0_end) {
to_visit[0] = pt0;
to_visit[1] = pt0_end;
to_visit[2] = pt1;
to_visit += 3;
}
#endif
pt0 = RepPair(d0) - 1;
pt0_end = RepPair(d0) + 1;
pt1 = RepPair(d1) - 1;
continue;
} else if (IsRefTerm(d0)) {
if (IsRefTerm(d1))
out = Unsigned(RefOfTerm(d1)) - Unsigned(RefOfTerm(d0));
else
out = -1;
goto done;
} else if (IsApplTerm(d0)) {
register Functor f;
register CELL *ap2, *ap3;
if (!IsApplTerm(d1)) {
out = 1;
goto done;
} else {
/* store the terms to visit */
Functor f2;
ap2 = RepAppl(d0);
ap3 = RepAppl(d1);
f = (Functor)(*ap2);
if (IsExtensionFunctor(f)) {
out = 1;
goto done;
}
f2 = (Functor)(*ap3);
if (IsExtensionFunctor(f2)) {
out = -1;
goto done;
}
/* compare functors */
if (f != (Functor)*ap3) {
if (!(out = ArityOfFunctor(f) - ArityOfFunctor(f2)))
out = cmp_atoms(NameOfFunctor(f), NameOfFunctor(f2));
goto done;
}
#ifdef RATIONAL_TREES
to_visit[0] = pt0;
to_visit[1] = pt0_end;
to_visit[2] = pt1;
to_visit[3] = (CELL *)*pt0;
to_visit += 4;
*pt0 = d1;
#else
/* store the terms to visit */
if (pt0 < pt0_end) {
to_visit[0] = pt0;
to_visit[1] = pt0_end;
to_visit[2] = pt1;
to_visit += 3;
}
#endif
d0 = ArityOfFunctor(f);
pt0 = ap2;
pt0_end = ap2 + d0;
pt1 = ap3;
continue;
}
}
}
}
/* Do we still have compound terms to visit */
if (to_visit > (CELL **)HR) {
#ifdef RATIONAL_TREES
to_visit -= 4;
pt0 = to_visit[0];
pt0_end = to_visit[1];
pt1 = to_visit[2];
*pt0 = (CELL)to_visit[3];
#else
to_visit -= 3;
pt0 = to_visit[0];
pt0_end = to_visit[1];
pt1 = to_visit[2];
#endif
goto loop;
}
done:
/* failure */
#ifdef RATIONAL_TREES
while (to_visit > (CELL **)HR) {
to_visit -= 4;
pt0 = to_visit[0];
pt0_end = to_visit[1];
pt1 = to_visit[2];
*pt0 = (CELL)to_visit[3];
}
#endif
return (out);
}
