From 858602fb03f8e9f49eb4dc8acd4c3087da7a33b6 Mon Sep 17 00:00:00 2001
From: Hanjin Liu <liuhanjin-sc@i.softbank.jp>
Date: Sun, 30 Jun 2024 14:55:14 +0900
Subject: [PATCH] fix random seed problem

---
 cylindra/project/_layer_info.py | 12 ++++++++----
 src/annealing/core.rs           | 14 +++++++-------
 src/annealing/random.rs         |  2 +-
 3 files changed, 16 insertions(+), 12 deletions(-)

diff --git a/cylindra/project/_layer_info.py b/cylindra/project/_layer_info.py
index 190c0890..4707b279 100644
--- a/cylindra/project/_layer_info.py
+++ b/cylindra/project/_layer_info.py
@@ -4,6 +4,7 @@
 from typing import TYPE_CHECKING
 
 if TYPE_CHECKING:
+    from acryo import Molecules
     from napari.layers import Layer
     from pydantic import BaseModel
 
@@ -75,11 +76,9 @@ def from_layer(
             point_size=layer.point_size,
         )
 
-    def to_layer(self, gui: "CylindraMainWidget", project_dir: Path):
+    def to_molecules(self, project_dir: Path) -> "Molecules":
         from acryo import Molecules
 
-        from cylindra._napari import MoleculesLayer
-
         path = project_dir / self.name
         if not path.exists():
             warnings.warn(
@@ -88,7 +87,12 @@ def to_layer(self, gui: "CylindraMainWidget", project_dir: Path):
                 stacklevel=2,
             )
             return
-        mole = Molecules.from_file(path)
+        return Molecules.from_file(path)
+
+    def to_layer(self, gui: "CylindraMainWidget", project_dir: Path):
+        from cylindra._napari import MoleculesLayer
+
+        mole = self.to_molecules(project_dir)
 
         if self.source is not None:
             src = gui.tomogram.splines[self.source]
diff --git a/src/annealing/core.rs b/src/annealing/core.rs
index 5fa421be..25ffa036 100644
--- a/src/annealing/core.rs
+++ b/src/annealing/core.rs
@@ -276,14 +276,14 @@ impl CylindricAnnealingModel {
                         reject_count = 0;
                     } else {
                         reject_count += 1;
-                    }
-                    if reject_count > self.reject_limit {
-                        if self.graph.energy() == std::f32::INFINITY {
-                            self.optimization_state = OptimizationState::Failed;
-                        } else {
-                            self.optimization_state = OptimizationState::Converged;
+                        if reject_count > self.reject_limit {
+                            if self.graph.energy() == std::f32::INFINITY {
+                                self.optimization_state = OptimizationState::Failed;
+                            } else {
+                                self.optimization_state = OptimizationState::Converged;
+                            }
+                            break;
                         }
-                        break;
                     }
                     self.iteration += 1;
                     self.reservoir.cool(self.iteration);
diff --git a/src/annealing/random.rs b/src/annealing/random.rs
index 6a93baa6..a364cbce 100644
--- a/src/annealing/random.rs
+++ b/src/annealing/random.rs
@@ -56,7 +56,7 @@ impl Clone for RandomNumberGenerator {
     }
 }
 
-const BUF: usize = 1;
+const BUF: usize = 2;
 const SCALE: f32 = (1 << (24 - BUF)) as f32;
 
 impl RandomNumberGenerator {