From 71a88d26800b3d197eaf9a8e6b950c8f842aa777 Mon Sep 17 00:00:00 2001
From: Louis Ponet <louisponet@gmail.com>
Date: Sat, 26 May 2018 20:31:42 +0200
Subject: [PATCH] added constant tests

---
 src/job.jl             |  3 ++-
 src/qe/constants.jl    | 20 ++++++++++----------
 test/constant_tests.jl | 12 ++++++++++++
 test/runtests.jl       |  3 ++-
 4 files changed, 26 insertions(+), 12 deletions(-)
 create mode 100644 test/constant_tests.jl

diff --git a/src/job.jl b/src/job.jl
index f49917a0..72a10b2a 100644
--- a/src/job.jl
+++ b/src/job.jl
@@ -749,7 +749,8 @@ function setwanenergies!(job::DFJob, Emin, bands; Epad=5.0, print=true)
     nbnd = sum([sum(orbsize.(t)) for  t in projections(job)])
     print && info("num_bands=$nbnd (inferred from provided projections).")
     winmin, frozmin, frozmax, winmax = wanenergyranges(Emin, nbnd, bands, Epad)
-    setflags!.(wancalcs, :dis_win_min => winmin, :dis_froz_min => frozmin, :dis_froz_max => frozmax, :dis_win_max => winmax, print=false)
+    setflags!.(wancalcs, :dis_win_min => winmin, :dis_froz_min => frozmin, :dis_froz_max => frozmax, :dis_win_max => winmax, :num_wann => nbnd, print=false)
+    return job
 end
 
 """
diff --git a/src/qe/constants.jl b/src/qe/constants.jl
index b3cb469d..c6ad06dd 100644
--- a/src/qe/constants.jl
+++ b/src/qe/constants.jl
@@ -99,7 +99,7 @@ function QEControlBlockInfo(lines::Array{<:AbstractString, 1})
 end
 
 #TODO rewrite this this is garbage
-function qe_variable(block::AbstractBlockInfo, variable_name::Symbol)
+function qevariable(block::AbstractBlockInfo, variable_name::Symbol)
     varstr1 = string(variable_name)
     for var in block.variables
         varstr2 = string(var.name)
@@ -211,9 +211,9 @@ qe_input_info(input::DFInput{QE}) = getfirst(x-> contains(input.exec, x.exec), Q
 qe_input_info(exec::AbstractString) = getfirst(x-> contains(exec, x.exec), QEInputInfos)
 qe_input_flags(exec::AbstractString) = allflags(qe_input_info(exec))
 
-function qe_variable(input_info::QEInputInfo, variable_name::Symbol)
+function qevariable(input_info::QEInputInfo, variable_name::Symbol)
     for block in vcat(input_info.control, input_info.data)
-        var = qe_variable(block, variable_name)
+        var = qevariable(block, variable_name)
         if var.typ != Void
             return var
         end
@@ -221,9 +221,9 @@ function qe_variable(input_info::QEInputInfo, variable_name::Symbol)
     return QEVariableInfo()
 end
 
-function qe_variable(variable_name::Symbol)
+function qevariable(variable_name::Symbol)
     for info in QEInputInfos
-        var = qe_variable(info, variable_name)
+        var = qevariable(info, variable_name)
         if var.typ != Void
             return var
         end
@@ -233,7 +233,7 @@ end
 
 function qe_block_variable(input_info::QEInputInfo, variable_name)
     for block in vcat(input_info.control, input_info.data)
-        var = qe_variable(block, variable_name)
+        var = qevariable(block, variable_name)
         if var.typ != Void
             return block, var
         end
@@ -241,10 +241,10 @@ function qe_block_variable(input_info::QEInputInfo, variable_name)
     return :error, QEVariableInfo()
 end
 
-function qe_variable(exec::Exec, varname)
+function qevariable(exec::Exec, varname)
     for input_info in QEInputInfos
         if contains(exec.exec, input_info.exec)
-            return qe_variable(input_info, varname)
+            return qevariable(input_info, varname)
         end
     end
     return QEVariableInfo()
@@ -276,5 +276,5 @@ end
 
 qe_block_variable(input::DFInput, flagname) = qe_block_variable(execs(input)[2].exec, flagname)
 
-flagtype(input::DFInput{QE}, flag) = qe_variable(execs(input)[2], flag).typ
-flagtype(::Type{QE}, exec, flag) = qe_variable(exec, flag).typ
+flagtype(input::DFInput{QE}, flag) = qevariable(execs(input)[2], flag).typ
+flagtype(::Type{QE}, exec, flag) = qevariable(exec, flag).typ
diff --git a/test/constant_tests.jl b/test/constant_tests.jl
new file mode 100644
index 00000000..475ca55a
--- /dev/null
+++ b/test/constant_tests.jl
@@ -0,0 +1,12 @@
+using DFControl
+import DFControl: searchdir, QEVariableInfo, QEControlBlockInfo, QEInputInfo, QEDataBlockInfo, qevariable
+
+qeassetpath = joinpath(Pkg.dir("DFControl"), "assets/inputs/qe/")
+inputinfos = begin
+    file_paths = qeassetpath .* searchdir(qeassetpath, "INPUT")
+    QEInputInfo.(file_paths)
+end
+
+
+@test qevariable(inputinfos[2], :calculation).typ == Void
+@test qevariable(inputinfos[3], :calculation).typ == qevariable(:calculation).typ
diff --git a/test/runtests.jl b/test/runtests.jl
index e09e0079..1f5fdf9c 100644
--- a/test/runtests.jl
+++ b/test/runtests.jl
@@ -1,7 +1,8 @@
 using Base.Test
 
 tic()
-@testset "New defaults"      begin include("defaults_test.jl") end
+@testset "constants" begin include("constant_tests.jl") end
+@testset "Setting defaults"  begin include("defaults_test.jl") end
 @testset "Job from CIF file" begin include("jobfromcif_test.jl") end
 @testset "Job control tests" begin include("job_control_tests.jl") end
 @testset "Remove defaults"   begin include("rmdefaults_test.jl") end