From: Anatoly <Titov_AI@pnpi.nrcki.ru>
Date: Tue, 20 Feb 2018 07:01:45 +0000 (+0300)
Subject: test
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=5b89c275700de64c6edf7b4dbad3bf950bdfc8b7;p=alexxy%2Fgromacs-spirals.git

test
---

diff --git a/src/spirals.cpp b/src/spirals.cpp
index 378a3e5..1927473 100644
--- a/src/spirals.cpp
+++ b/src/spirals.cpp
@@ -172,6 +172,7 @@ void linear_kernel_search (long double &x0, long double &y0, long double &z0, lo
                 L1 = 0;
             }
         }
+        std::cout << FX - Fx(x0 - L1 * FX0, y0, z0, p1, p2, p3, x) << " ";
         L2 = 1;
         while (Fx(x0, y0 - L2 * FY0, z0, p1, p2, p3, x) - FX > 0) {
             L2 /= 2;
@@ -179,6 +180,7 @@ void linear_kernel_search (long double &x0, long double &y0, long double &z0, lo
                 L2 = 0;
             }
         }
+        std::cout << FX - Fx(x0, y0 - L2 * FY0, z0, p1, p2, p3, x) << " ";
         L3 = 1;
         while (Fx(x0, y0, z0 - L3 * FZ0, p1, p2, p3, x) - FX > 0) {
             L3 /= 2;
@@ -186,6 +188,7 @@ void linear_kernel_search (long double &x0, long double &y0, long double &z0, lo
                 L3 = 0;
             }
         }
+        std::cout << FX - Fx(x0, y0, z0 - L3 * FZ0, p1, p2, p3, x) << " ";
         L4 = 1;
         while (Fx(x0, y0, z0, p1 - L4 * FP1, p2, p3, x) - FX > 0) {
             L4 /= 2;
@@ -193,6 +196,7 @@ void linear_kernel_search (long double &x0, long double &y0, long double &z0, lo
                 L4 = 0;
             }
         }
+        std::cout << FX - Fx(x0, y0, z0, p1 - L4 * FP1, p2, p3, x) << " ";
         L5 = 1;
         while (Fx(x0, y0, z0, p1, p2 - L5 * FP2, p3, x) - FX > 0) {
             L5 /= 2;
@@ -200,6 +204,7 @@ void linear_kernel_search (long double &x0, long double &y0, long double &z0, lo
                 L5 = 0;
             }
         }
+        std::cout << FX - Fx(x0, y0, z0, p1, p2 - L5 * FP2, p3, x) << " ";
         L6 = 1;
         while (Fx(x0, y0, z0, p1, p2, p3 - L6 * FP3, x) - FX > 0) {
             L6 /= 2;
@@ -207,7 +212,8 @@ void linear_kernel_search (long double &x0, long double &y0, long double &z0, lo
                 L6 = 0;
             }
         }
-        std::cout << FX - Fx(x0 - L1 * FX0, y0 - L2 * FY0, z0 - L3 * FZ0, p1 - L4 * FP1, p2 - L5 * FP2, p3 - L6 * FP3, x) << " ";
+        std::cout << FX - Fx(x0, y0, z0, p1, p2, p3 - L6 * FP3, x) << " ";
+        std::cout << FX - Fx(x0 - L1 * FX0, y0 - L2 * FY0, z0 - L3 * FZ0, p1 - L4 * FP1, p2 - L5 * FP2, p3 - L6 * FP3, x) << "\n";
         if (FX - Fx(x0 - L1 * FX0, y0 - L2 * FY0, z0 - L3 * FZ0, p1 - L4 * FP1, p2 - L5 * FP2, p3 - L6 * FP3, x) > epsi) {
             x0 -= L1 * FX0;
             y0 -= L2 * FY0;