added

- steps
- radii
- # of monomers in coil
output
ver 1.0

diff --git a/src/spirals.cpp b/src/spirals.cpp
index 8f9c4955fb9348bd18d0653cec12602d5b469155..89b06aaac26eb9a4cc19162f8bb84b45f3ca3aeb 100644 (file)
--- a/src/spirals.cpp
+++ b/src/spirals.cpp
@@ -420,6 +420,31 @@ Spirals::finishAnalysis(int /*nframes*/)
         std::fprintf(file, "\n");
     }
     std::fclose(file);
+
+    file = std::fopen("steps_Rspiral_Nmonomers.txt", "w+");
+    for (int i = 0; i < circles.size(); i++) {
+        std::fprintf(file, "Frame # %3.2d\n", i);
+        std::fprintf(file, "Spiral steps:\n");
+        for (int j = 0; j < circles[i].size(); j++) {
+            std::fprintf(file, "%3.2f ", std::sqrt(distance2(kernel[i].krnl[circles[i][j].front() - 1], kernel[i].krnl[circles[i][j].back() - 1])));
+        }
+        std::fprintf(file, "\n");
+        std::fprintf(file, "Spiral radii\n");
+        for (int j = 0; j < circles[i].size(); j++) {
+            float temp = 0;
+            for (int k = 0; k < circles[i][j].size(); k++) {
+                temp += std::sqrt(distance2(kernel[i].krnl[circles[i][j][k] - 1], monomers[i][circles[i][j][k] - 1]));
+                std::fprintf(file, "%3.2f ", std::sqrt(distance2(kernel[i].krnl[circles[i][j][k] - 1], monomers[i][circles[i][j][k] - 1])));
+            }
+            std::fprintf(file, "average: %3.2f\n", temp / circles[i][j].size());
+        }
+        std::fprintf(file, "# of monomers per coil:\n");
+        for (int j = 0; j < circles[i].size(); j++) {
+            std::fprintf(file, "%3.2d ", circles[i][j].size());
+        }
+        std::fprintf(file, "\n\n");
+    }
+    std::fclose(file);
 }
 
 void