From: Anatoly <Titov_AI@pnpi.nrcki.ru>
Date: Wed, 21 Oct 2020 16:16:56 +0000 (+0300)
Subject: - output fixes
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=89307ad7fcf99211d67233632753cad804105d83;p=alexxy%2Fgromacs-colorvec.git

- output fixes
---

diff --git a/src/colorvec.cpp b/src/colorvec.cpp
index 4d807ad..9128e67 100644
--- a/src/colorvec.cpp
+++ b/src/colorvec.cpp
@@ -280,9 +280,6 @@ inline void computeAnglesColorsVsBeta(const gmx::RVec &inputBetaRVec, colorLocal
 // функция записи в файл значений углов для кадра
 void anglesFileDump(const int frameNum, const std::string &output, const std::vector< bool > &toPeptide, const std::vector< colorLocalAngles > &colorFormation) {
     std::ofstream   file(output, std::ofstream::app);
-    int temp = 0;
-    std::vector< double > betaTemp;
-    betaTemp.resize(0);
     file << "frame =" << std::setw(8) << frameNum << std::endl;
     for (size_t i = 0; i < colorFormation.size(); ++i) {
         file << "color #" << std::setw(3) << i;
@@ -294,17 +291,18 @@ void anglesFileDump(const int frameNum, const std::string &output, const std::ve
         file << std::setw(8) << std::setprecision(3) << colorFormation[i].a12;
         file << std::setw(8) << std::setprecision(3) << colorFormation[i].b12;
         file << std::setw(8) << std::setprecision(3) << colorFormation[i].n12;
-        temp = colorFormation[i].betaAngles.size() / 6;
-        if (temp == 0) {
+        if (colorFormation[i].betaAngles.size() == 0) {
             file << std::setw(4) << 0;
         } else {
+            int temp = colorFormation[i].betaAngles.size() / 6;
+            std::vector< double > betaTemp;
             betaTemp.resize(0);
             betaTemp.resize(6, 0.); // magic number, meh
             for (size_t j = 0; j < colorFormation[i].betaAngles.size(); ++j) {
                 betaTemp[j % 6] += colorFormation[i].betaAngles[j];
             }
             for (size_t j = 0; j < betaTemp.size(); ++j) {
-                betaTemp[j] /= temp;
+                betaTemp[j] /= static_cast< double >(temp);
             }
             file << std::setw(4) << temp;
             for (size_t j = 0; j < betaTemp.size(); ++j) {