From 88f139dcbb67946204a5d7ab4702aeabdc532619 Mon Sep 17 00:00:00 2001 From: Anatoly Date: Tue, 20 Feb 2018 11:21:55 +0300 Subject: [PATCH] fixed bug = to == --- src/spirals.cpp | 13 +++---------- 1 file changed, 3 insertions(+), 10 deletions(-) diff --git a/src/spirals.cpp b/src/spirals.cpp index ee4b2a9..0a9c08b 100644 --- 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; -- 2.22.0