From fa88ef650843b8ec639fac15f4955fdfe7b67599 Mon Sep 17 00:00:00 2001
From: Marco Biasini <mvbiasini@gmail.com>
Date: Sat, 6 Apr 2013 10:08:11 +0200
Subject: [PATCH] unbreak build
---
modules/mol/alg/src/entity_to_density.cc | 32 ++++++++++++++----------
1 file changed, 19 insertions(+), 13 deletions(-)
diff --git a/modules/mol/alg/src/entity_to_density.cc b/modules/mol/alg/src/entity_to_density.cc
index 118653cce..f138899aa 100644
--- a/modules/mol/alg/src/entity_to_density.cc
+++ b/modules/mol/alg/src/entity_to_density.cc
@@ -126,18 +126,21 @@ public:
(img::Point(-static_cast<int>(x_limit),-static_cast<int>(y_limit),0),
img::Point(x_limit,y_limit,z_limit));
- mol::AtomViewIter iterator_end = entity_view_.AtomsEnd();
- for (mol::AtomViewIter iterator = entity_view_.AtomsBegin();
- iterator!=iterator_end; ++iterator)
- {
+
+ for (ChainViewList::const_iterator ci = entity_view_.GetChainList().begin(),
+ ce = entity_view_.GetChainList().end(); ci != ce; ++ci) {
+ for (ResidueViewList::const_iterator ri = ci->GetResidueList().begin(),
+ re = ci->GetResidueList().end(); ri != re; ++re) {
+ for (AtomViewList::const_iterator ai = ri->GetAtomList().begin(),
+ ae = ri->GetAtomList().end(); ai!= ae; ++ai) {
AtomScatteringPropsTable::iterator table_iter =
scatt_props_table_.begin();
bool found = false;
while (found != true && table_iter!=scatt_props_table_.end())
{
- if ( (*table_iter).element == (*iterator).GetElement())
+ if ( (*table_iter).element == (*ai).GetElement())
{
- geom::Vec3 coord = (*iterator).GetPos();
+ geom::Vec3 coord = ai->GetPos();
if (coord[0] >= map_start_[0] &&
coord[0] <= map_end_[0] &&
@@ -199,7 +202,7 @@ public:
}
++table_iter;
}
- }
+ }}} // loop over atoms
}
template <typename T, class D>
@@ -280,17 +283,20 @@ public:
geom::Vec3 sampling = is.GetSampling().GetPixelSampling();
img::Extent is_extent = is.GetExtent();
- mol::AtomViewIter iterator_end = effective_entity_view.AtomsEnd();
- for (mol::AtomViewIter iterator = effective_entity_view.AtomsBegin();
- iterator!=iterator_end; ++iterator) {
+ for (ChainViewList::const_iterator ci = effective_entity_view.GetChainList().begin(),
+ ce = effective_entity_view.GetChainList().end(); ci != ce; ++ci) {
+ for (ResidueViewList::const_iterator ri = ci->GetResidueList().begin(),
+ re = ci->GetResidueList().end(); ri != re; ++re) {
+ for (AtomViewList::const_iterator ai = ri->GetAtomList().begin(),
+ ae = ri->GetAtomList().end(); ai!= ae; ++ai) {
AtomScatteringPropsTable::iterator table_iter =
scatt_props_table_.begin();
bool found = false;
while (found != true && table_iter!=scatt_props_table_.end()) {
- if ((*table_iter).element == (*iterator).GetElement()) {
+ if ((*table_iter).element == ai->GetElement()) {
found = true;
Real a = (*table_iter).atomic_weight;
- geom::Vec3 coord = (*iterator).GetPos();
+ geom::Vec3 coord = ai->GetPos();
if (coord[0] >= map_start[0] &&
coord[0] <= map_end[0] &&
coord[1] >= map_start[1] &&
@@ -341,7 +347,7 @@ public:
}
++table_iter;
}
- }
+ }}}
}
template <typename T, class D>
--
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