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libcifpp
Commit 1f22326d by Maarten L. Hekkelman
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global replace is evil and should be forbidden

parent b4dfdb55
Showing with 12 additions and 12 deletions
src/Cif2PDB.cpp
...@@ -2492,19 +2492,19 @@ void WriteRemark350(std::ostream& pdbFile, Datablock& db) ...@@ -2492,19 +2492,19 @@ void WriteRemark350(std::ostream& pdbFile, Datablock& db)
<< SEP(" ", -9, 6) << Ff(r, "matrix[1][1]") << SEP(" ", -9, 6) << Ff(r, "matrix[1][1]")
<< SEP(" ", -9, 6) << Ff(r, "matrix[1][2]") << SEP(" ", -9, 6) << Ff(r, "matrix[1][2]")
<< SEP(" ", -9, 6) << Ff(r, "matrix[1][3]") << SEP(" ", -9, 6) << Ff(r, "matrix[1][3]")
<< SEP(" ", -14, 5) << Ff(r, "std::vector[1]") << SEP(" ", -14, 5) << Ff(r, "vector[1]")
<< std::endl << std::endl
<< RM(" BIOMT2 ", -3) << Fs(r, "id") << RM(" BIOMT2 ", -3) << Fs(r, "id")
<< SEP(" ", -9, 6) << Ff(r, "matrix[2][1]") << SEP(" ", -9, 6) << Ff(r, "matrix[2][1]")
<< SEP(" ", -9, 6) << Ff(r, "matrix[2][2]") << SEP(" ", -9, 6) << Ff(r, "matrix[2][2]")
<< SEP(" ", -9, 6) << Ff(r, "matrix[2][3]") << SEP(" ", -9, 6) << Ff(r, "matrix[2][3]")
<< SEP(" ", -14, 5) << Ff(r, "std::vector[2]") << SEP(" ", -14, 5) << Ff(r, "vector[2]")
<< std::endl << std::endl
<< RM(" BIOMT3 ", -3) << Fs(r, "id") << RM(" BIOMT3 ", -3) << Fs(r, "id")
<< SEP(" ", -9, 6) << Ff(r, "matrix[3][1]") << SEP(" ", -9, 6) << Ff(r, "matrix[3][1]")
<< SEP(" ", -9, 6) << Ff(r, "matrix[3][2]") << SEP(" ", -9, 6) << Ff(r, "matrix[3][2]")
<< SEP(" ", -9, 6) << Ff(r, "matrix[3][3]") << SEP(" ", -9, 6) << Ff(r, "matrix[3][3]")
<< SEP(" ", -14, 5) << Ff(r, "std::vector[3]") << SEP(" ", -14, 5) << Ff(r, "vector[3]")
<< std::endl; << std::endl;
} }
} }
...@@ -3502,9 +3502,9 @@ int WriteCoordinateTransformation(std::ostream& pdbFile, Datablock& db) ...@@ -3502,9 +3502,9 @@ int WriteCoordinateTransformation(std::ostream& pdbFile, Datablock& db)
{ {
std::string given = r["code"] == "given" ? "1" : ""; std::string given = r["code"] == "given" ? "1" : "";
pdbFile << (kMTRIX % 1 % nr % r["matrix[1][1]"].as<float>() % r["matrix[1][2]"].as<float>() % r["matrix[1][3]"].as<float>() % r["std::vector[1]"].as<float>() % given) << std::endl; pdbFile << (kMTRIX % 1 % nr % r["matrix[1][1]"].as<float>() % r["matrix[1][2]"].as<float>() % r["matrix[1][3]"].as<float>() % r["vector[1]"].as<float>() % given) << std::endl;
pdbFile << (kMTRIX % 2 % nr % r["matrix[2][1]"].as<float>() % r["matrix[2][2]"].as<float>() % r["matrix[2][3]"].as<float>() % r["std::vector[2]"].as<float>() % given) << std::endl; pdbFile << (kMTRIX % 2 % nr % r["matrix[2][1]"].as<float>() % r["matrix[2][2]"].as<float>() % r["matrix[2][3]"].as<float>() % r["vector[2]"].as<float>() % given) << std::endl;
pdbFile << (kMTRIX % 3 % nr % r["matrix[3][1]"].as<float>() % r["matrix[3][2]"].as<float>() % r["matrix[3][3]"].as<float>() % r["std::vector[3]"].as<float>() % given) << std::endl; pdbFile << (kMTRIX % 3 % nr % r["matrix[3][1]"].as<float>() % r["matrix[3][2]"].as<float>() % r["matrix[3][3]"].as<float>() % r["vector[3]"].as<float>() % given) << std::endl;
++nr; ++nr;
result += 3; result += 3;
......
src/PDB2Cif.cpp
...@@ -3077,15 +3077,15 @@ void PDBFileParser::ParseRemark350() ...@@ -3077,15 +3077,15 @@ void PDBFileParser::ParseRemark350()
{ "matrix[1][1]", (fmt % mat[0]).str() }, { "matrix[1][1]", (fmt % mat[0]).str() },
{ "matrix[1][2]", (fmt % mat[1]).str() }, { "matrix[1][2]", (fmt % mat[1]).str() },
{ "matrix[1][3]", (fmt % mat[2]).str() }, { "matrix[1][3]", (fmt % mat[2]).str() },
{ "std::vector[1]", (fmt % vec[0]).str() }, { "vector[1]", (fmt % vec[0]).str() },
{ "matrix[2][1]", (fmt % mat[3]).str() }, { "matrix[2][1]", (fmt % mat[3]).str() },
{ "matrix[2][2]", (fmt % mat[4]).str() }, { "matrix[2][2]", (fmt % mat[4]).str() },
{ "matrix[2][3]", (fmt % mat[5]).str() }, { "matrix[2][3]", (fmt % mat[5]).str() },
{ "std::vector[2]", (fmt % vec[1]).str() }, { "vector[2]", (fmt % vec[1]).str() },
{ "matrix[3][1]", (fmt % mat[6]).str() }, { "matrix[3][1]", (fmt % mat[6]).str() },
{ "matrix[3][2]", (fmt % mat[7]).str() }, { "matrix[3][2]", (fmt % mat[7]).str() },
{ "matrix[3][3]", (fmt % mat[8]).str() }, { "matrix[3][3]", (fmt % mat[8]).str() },
{ "std::vector[3]", (fmt % vec[2]).str() } { "vector[3]", (fmt % vec[2]).str() }
}); });
mat.clear(); mat.clear();
...@@ -5039,9 +5039,9 @@ void PDBFileParser::ParseCoordinateTransformation() ...@@ -5039,9 +5039,9 @@ void PDBFileParser::ParseCoordinateTransformation()
{ "matrix[3][1]", m[2][0] }, { "matrix[3][1]", m[2][0] },
{ "matrix[3][2]", m[2][1] }, { "matrix[3][2]", m[2][1] },
{ "matrix[3][3]", m[2][2] }, { "matrix[3][3]", m[2][2] },
{ "std::vector[1]", v[0] }, { "vector[1]", v[0] },
{ "std::vector[2]", v[1] }, { "vector[2]", v[1] },
{ "std::vector[3]", v[2] }, { "vector[3]", v[2] },
{ "code", igiven ? "given" : "" } { "code", igiven ? "given" : "" }
}); });
} }
......
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