clean up code

src/dssp.cpp

@@ -1101,8 +1101,8 @@ void CalculateBetaSheets(std::vector<residue> &inResidues, statistics &stats, st
 		}
 		}
 	}
 	}
 
 
-	// Second attempt to create 'strands'. A strand is a range of residues
-	// without a gap in between in the same chain that belong to the same sheet.
+	// Create 'strands'. A strand is a range of residues without a gap in between
+	// that belong to the same sheet.
 
 
 	int strand = 0;
 	int strand = 0;
 	for (uint32_t iSheet = 1; iSheet < sheet; ++iSheet)
 	for (uint32_t iSheet = 1; iSheet < sheet; ++iSheet)
@@ -1120,86 +1120,6 @@ void CalculateBetaSheets(std::vector<residue> &inResidues, statistics &stats, st
 			lastNr = res.mNumber;
 			lastNr = res.mNumber;
 		}
 		}
 	}
 	}
-
-	// // Construct the 'strands'
-	// // For mmCIF output, this is needed and since we now have the information available
-	// // it is best to do the calculation here.
-
-	// // strands are ranges of residues of length > 1 that form beta bridges in a sheet.
-
-	// for (uint32_t iSheet = 1; iSheet < sheet; ++iSheet)
-	// {
-	// 	std::vector<std::tuple<uint32_t,uint32_t>> strands;
-	// 	for (auto &bridge : bridges)
-	// 	{
-	// 		if (bridge.sheet != iSheet)
-	// 			continue;
-
-	// 		for (auto &range : { bridge.i, bridge.j})
-	// 		{
-	// 			auto imin = range.front();
-	// 			auto imax = range.back();
-
-	// 			// if (imin == imax)
-	// 			// 	continue;
-
-	// 			if (imin > imax)
-	// 				std::swap(imin, imax);
-
-	// 			auto ii = find_if(strands.begin(), strands.end(), [a = imin, b = imax] (std::tuple<uint32_t,uint32_t> &t)
-	// 			{
-	// 				auto &&[start, end] = t;
-
-	// 				bool result = false;
-	// 				if (start <= b and end >= a)
-	// 				{
-	// 					result = true;
-	// 					if (start > a)
-	// 						start = a;
-	// 					if (end < b)
-	// 						end = b;
-	// 				}
-
-	// 				return result;
-	// 			});
-
-	// 			if (ii == strands.end())
-	// 				strands.emplace_back(imin, imax);
-	// 		}
-	// 	}
-
-	// 	std::sort(strands.begin(), strands.end());
-
-	// 	// collapse ranges that overlap
-	// 	if (strands.size() > 1)
-	// 	{
-	// 		auto si = strands.begin();
-	// 		while (std::next(si) != strands.end())
-	// 		{
-	// 			auto &&[afirst, alast] = *si;
-	// 			auto &&[bfirst, blast] = *(std::next(si));
-
-	// 			if (alast >= bfirst)
-	// 			{
-	// 				bfirst = afirst;
-	// 				si = strands.erase(si);
-	// 				continue;
-	// 			}
-
-	// 			++si;
-	// 		}
-	// 	}
-
-	// 	for (size_t i = 0; i < strands.size(); ++i)
-	// 	{
-	// 		const auto &[first, last] = strands[i];
-	// 		for (auto nr = first; nr <= last; ++nr)
-	// 		{
-	// 			assert(inResidues[nr].mStrand == 0);
-	// 			inResidues[nr].SetStrand(i + 1);
-	// 		}
-	// 	}
-	// }
 }
 }
 
 
 // --------------------------------------------------------------------
 // --------------------------------------------------------------------