fixed bug = to ==

diff --git a/src/spirals.cpp b/src/spirals.cpp
index ee4b2a9a57e9c14686ed6d6f807340f13cc4d9ed..0a9c08b113d9b13ed7bbeba38a15eb0b1e99d9ee 100644 (file)
--- a/src/spirals.cpp
+++ b/src/spirals.cpp
@@ -152,10 +152,6 @@ long double fp3 (long double x0, long double y0, long double z0, long double p1,
     return ret;
 }
 
-bool whwhL0 (long double L0, long double FX0, long double FY0, long double FZ0, long double FP1, long double FP2, long double FP3, long double FX, long double Ftemp, long double epsi) {
-    return (L0 * FX0 < epsi) && (L0 * FY0 < epsi) && (L0 * FZ0 < epsi) && (L0 * FP1 < epsi) && (L0 * FP2 < epsi) && (L0 * FP3 < epsi) || (FX - Ftemp < pow(epsi, 2));
-}
-
 void linear_kernel_search (long double &x0, long double &y0, long double &z0, long double &p1, long double &p2, long double &p3, std::vector< RVec > x, long double epsi) {
     long double Ftemp = 0, FX = 0, FX0 = 0, FY0 = 0, FZ0 = 0, FP1 = 0, FP2 = 0, FP3 = 0, L0 = 0;
     while (true) {
@@ -179,17 +175,14 @@ void linear_kernel_search (long double &x0, long double &y0, long double &z0, lo
                 p1 -= L0 * FP1;
                 p2 -= L0 * FP2;
                 p3 -= L0 * FP3;
-                if (whwhL0(L0, FX0, FY0, FZ0, FP1, FP2, FP3, FX, Ftemp, epsi)) {
+                if (FX - Ftemp < epsi) {
                     L0 = 0;
                 }
                 break;
             }
-            if (whwhL0(L0, FX0, FY0, FZ0, FP1, FP2, FP3, FX, Ftemp, epsi)) {
-                L0 = 0;
-            }
         }
 
-        if (L0 = 0) {
+        if (L0 == 0) {
             break;
         }
     }
@@ -246,7 +239,7 @@ class Spirals : public TrajectoryAnalysisModule
 
         SelectionList                           sel_;
         int                                     frames      = 0;
-        double                                  epsi        = 0.001;
+        double                                  epsi        = 0.00001;
 
         std::vector< std::vector< RVec > >                  monomers;
         std::vector< kernel_maxima >                        kernel;