Commit 6105c1f6 by maarten

laatste fix map making

git-svn-id: svn+ssh://gitlab/srv/svn-repos/pdb-redo/trunk@243 a1961a4f-ab94-4bcc-80e8-33b5a54de466
parent 93a96960
...@@ -334,9 +334,6 @@ void MapMaker<FTYPE>::fixMTZ(FPdata& fb, FPdata& fd, FOdata& fo, FPdata& fc, WDa ...@@ -334,9 +334,6 @@ void MapMaker<FTYPE>::fixMTZ(FPdata& fb, FPdata& fd, FOdata& fo, FPdata& fc, WDa
for (auto ih = fb.first(); not ih.last(); ih.next()) for (auto ih = fb.first(); not ih.last(); ih.next())
{ {
if (fc[ih].missing())
throw runtime_error("Missing Fc, apparently creating Fc went wrong");
clipper::HKL_class cls(mSpacegroup, ih.hkl()); clipper::HKL_class cls(mSpacegroup, ih.hkl());
auto W = fom[ih].fom(); auto W = fom[ih].fom();
...@@ -706,17 +703,12 @@ void MapMaker<FTYPE>::printStats(const clipper::HKL_info hklInfo, ...@@ -706,17 +703,12 @@ void MapMaker<FTYPE>::printStats(const clipper::HKL_info hklInfo,
for (auto ih = fo.first_data(); not ih.last(); ih = fo.next_data(ih)) for (auto ih = fo.first_data(); not ih.last(); ih = fo.next_data(ih))
{ {
if (fc[ih].missing()) if (fc[ih].missing())
throw runtime_error("missing Fc"); continue;
// throw runtime_error("missing Fc");
double Fo = fo[ih].f(); double Fo = fo[ih].f();
double Fc = sqrt(rfn.f(ih)) * fc[ih].f(); double Fc = sqrt(rfn.f(ih)) * fc[ih].f();
if (isnan(Fo))
throw runtime_error("Fo is nan, blame clipper");
if (isnan(Fc))
throw runtime_error("Fc is nan, blame clipper");
if (free[ih].flag() == freeflag) if (free[ih].flag() == freeflag)
{ {
r1f += fabs(Fo - Fc); r1f += fabs(Fo - Fc);
......
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