From 563d566a3f699af85a8fe558ebf7c724d4fd4756 Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Thu, 14 Apr 2022 01:06:47 +0200
Subject: [PATCH] made two loops faster

the most annoying one is still slow.
---
 src/YAML_types.f90 |  2 +-
 src/material.f90   | 50 ++++++++++++++++++++++++++++++----------------
 2 files changed, 34 insertions(+), 18 deletions(-)

diff --git a/src/YAML_types.f90 b/src/YAML_types.f90
index b32651905..857b24bd0 100644
--- a/src/YAML_types.f90
+++ b/src/YAML_types.f90
@@ -145,7 +145,7 @@ module YAML_types
   end type tDict
 
 
-  type :: tItem
+  type, public :: tItem
     character(len=:), allocatable :: key
     class(tNode),     pointer     :: node => NULL()
     class(tItem),     pointer     :: next => NULL()
diff --git a/src/material.f90 b/src/material.f90
index 3ff280b0d..4d6bc361d 100644
--- a/src/material.f90
+++ b/src/material.f90
@@ -91,6 +91,7 @@ subroutine parse()
                            homogenizations, &
                            homogenization
 
+  class(tItem), pointer :: item
   integer, dimension(:), allocatable :: &
     counterPhase, &
     counterHomogenization
@@ -102,6 +103,7 @@ subroutine parse()
     co, ce, &
     ma
 
+
   materials       => config_material%get('material')
   phases          => config_material%get('phase')
   homogenizations => config_material%get('homogenization')
@@ -169,17 +171,23 @@ subroutine parse()
   allocate(material_O_0(materials%length))
   allocate(material_F_i_0(materials%length))
 
-  do ma = 1, materials%length
-    material     => materials%get(ma)
-    constituents => material%get('constituents')
-    allocate(material_O_0(ma)%data(constituents%length))
-    allocate(material_F_i_0(ma)%data(1:3,1:3,constituents%length))
-    do co = 1, constituents%length
-      constituent => constituents%get(co)
-      call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4))
-      material_F_i_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('F_i',defaultVal=math_I3,requiredShape=[3,3])
-    enddo
- enddo
+  ! manual iteration for performance
+  select type(materials)
+    class is(tList)
+      item => materials%first
+      do ma = 1, materials%length
+        material => item%node
+        constituents => material%get('constituents')
+        allocate(material_O_0(ma)%data(constituents%length))
+        allocate(material_F_i_0(ma)%data(1:3,1:3,constituents%length))
+        do co = 1, constituents%length
+          constituent => constituents%get(co)
+          call material_O_0(ma)%data(co)%fromQuaternion(constituent%get_as1dFloat('O',requiredSize=4))
+          material_F_i_0(ma)%data(1:3,1:3,co) = constituent%get_as2dFloat('F_i',defaultVal=math_I3,requiredShape=[3,3])
+        end do
+        item => item%next
+      end do
+  end select
 
 end subroutine parse
 
@@ -195,17 +203,25 @@ subroutine sanityCheck(materials,homogenizations)
   class(tNode), pointer :: material, &
                            homogenization, &
                            constituents
+  class(tItem), pointer :: item
   integer :: m
 
+
   if (maxval(discretization_materialAt) > materials%length) &
     call IO_error(155,ext_msg='More materials requested than found in material.yaml')
 
-  do m = 1, materials%length
-    material => materials%get(m)
-    constituents   => material%get('constituents')
-    homogenization => homogenizations%get(material%get_asString('homogenization'))
-    if (constituents%length /= homogenization%get_asInt('N_constituents')) call IO_error(148)
-  end do
+  ! manual iteration for performance
+  select type(materials)
+    class is(tList)
+      item => materials%first
+      do m = 1, materials%length
+        material => materials%get(m)
+        constituents   => material%get('constituents')
+        homogenization => homogenizations%get(material%get_asString('homogenization'))
+        if (constituents%length /= homogenization%get_asInt('N_constituents')) call IO_error(148)
+        item => item%next
+      end do
+  end select
 
 end subroutine sanityCheck