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dasdsdas
author
Max
<Infinity2573@gmail.com>
Mon, 19 Sep 2022 22:25:17 +0000
(
01:25
+0300)
committer
Max
<Infinity2573@gmail.com>
Mon, 19 Sep 2022 22:25:17 +0000
(
01:25
+0300)
src/dssptools.cpp
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diff --git
a/src/dssptools.cpp
b/src/dssptools.cpp
index 0cb9d6479ceb14f15905e5c4e365ba7bdfe3d131..44f6dc670e9fffadb994c39d1bbc70f7fcbfd714 100644
(file)
--- a/
src/dssptools.cpp
+++ b/
src/dssptools.cpp
@@
-146,17
+146,14
@@
bool secondaryStructures::hasHBondBetween(std::size_t Donor, std::size_t Accepto
bool secondaryStructures::NoChainBreaksBetween(std::size_t Resi1, std::size_t Resi2) const{
bool flag{true};
bool secondaryStructures::NoChainBreaksBetween(std::size_t Resi1, std::size_t Resi2) const{
bool flag{true};
- std::size_t i{Resi1}, j{Resi2}; // From i to j
+ std::size_t i{Resi1}, j{Resi2}; // From i to j
→ i <= j
if ( i > j ){
std::swap(i, j);
}
for (; i != j; ++i){
flag = !(SecondaryStructuresStatusMap[i].isBreakPartnerWith(&SecondaryStructuresStatusMap[i + 1]) && SecondaryStructuresStatusMap[i + 1].isBreakPartnerWith(&SecondaryStructuresStatusMap[i]));
if ( i > j ){
std::swap(i, j);
}
for (; i != j; ++i){
flag = !(SecondaryStructuresStatusMap[i].isBreakPartnerWith(&SecondaryStructuresStatusMap[i + 1]) && SecondaryStructuresStatusMap[i + 1].isBreakPartnerWith(&SecondaryStructuresStatusMap[i]));
- }
-
- if ( SecondaryStructuresStatusMap[i].isBreakPartnerWith(&SecondaryStructuresStatusMap[i + 1]) && SecondaryStructuresStatusMap[i + 1].isBreakPartnerWith(&SecondaryStructuresStatusMap[i]) ){
- std::cout << " SASSA " << std::endl;
+ std::cout << "testin " << i << " and " << i + 1 << std::endl;
}
if (!flag){
}
if (!flag){