Best parameter run

In GitLab by @lauer1 on Mar 6, 2018, 12:19

At the moment, I'm encountering the problem that the analyse script doesn't replace the values properly. Attached is the output with our TGA example after a successful optimisation run and after best fitting values were found.

But all in all, I just get files, where either the file just contains the placeholders (with --create_best_input) or contains "None" instead of the placeholders (with --run_best).

```shell
[benutzer@buexhpc2 reproduktion]$ python3 ../propti_analyse.py . --create_best_input

* Loading information of the optimisation process.
----------------------
Loading complete.

* Create input file with best parameter set
----------------------
Read data base file, please wait.

Locate best parameter set:
---
Best fitness index: line 449
Best fitness value: -0.00016469862231042302

./TGA_analysis_02_5K_tga/tga_analysis_02.fds
&HEAD CHID='#CHID#', TITLE='TGA tutorial' /

&MESH IJK=3,1,4, XB=-2,2,-0.5,0.5,0,1 /

&TIME T_END=60. /

&REAC FUEL='CELLULOSE', C=6, H=10, O=5, SOOT_YIELD=0.015 /
&SPEC ID='WATER VAPOR' /

&VENT XB=-1,1,-0.5,0.5,0.0,0.0, SURF_ID='SAMPLE' /

&SURF ID = 'SAMPLE'
TGA_ANALYSIS = .TRUE.
COLOR = 'RED'
THICKNESS = 0.01
MATL_ID(1,1) = 'component 1'
MATL_ID(1,2) = 'water'
MATL_MASS_FRACTION(1,1) = 0.90
MATL_MASS_FRACTION(1,2) = 0.10 /

Original values for material component 1
have been:
REFERENCE_TEMPERATURE = 315.
REFERENCE_RATE = 0.0056

&MATL ID = 'component 1'
EMISSIVITY = 1.0
DENSITY = 500.
CONDUCTIVITY = 0.20
SPECIFIC_HEAT = 1.0
N_REACTIONS = 1
REFERENCE_TEMPERATURE = #rtc01#
REFERENCE_RATE = #rrc01#
HEATING_RATE = #hr#
NU_SPEC = 0.60
SPEC_ID = 'CELLULOSE'
NU_MATL = 0.40
MATL_ID = 'component 2'
HEAT_OF_REACTION = 1000. /

Original values for material component 2
have been:
REFERENCE_TEMPERATURE = 430.
REFERENCE_RATE = 0.0075

&MATL ID = 'component 2'
EMISSIVITY = 1.0
DENSITY = 500.
CONDUCTIVITY = 0.20
SPECIFIC_HEAT = 1.0
N_REACTIONS = 1
REFERENCE_TEMPERATURE = #rtc02#
REFERENCE_RATE = #rrc02#
HEATING_RATE = #hr#
NU_SPEC = 0.85
SPEC_ID = 'CELLULOSE'
NU_MATL = 0.15
MATL_ID = 'residue'
HEAT_OF_REACTION = 1000. /

&MATL ID = 'water'
DENSITY = 1000.
CONDUCTIVITY = 0.1
SPECIFIC_HEAT= 4.184
N_REACTIONS = 1
REFERENCE_TEMPERATURE = 100.
REFERENCE_RATE = 0.0016
HEATING_RATE = #hr#
NU_SPEC = 1.0
SPEC_ID = 'WATER VAPOR'
HEAT_OF_REACTION= 2500. /

&MATL ID = 'residue'
DENSITY = 200.
CONDUCTIVITY = 0.20
SPECIFIC_HEAT = 1.0 /

&TAIL /

* Extract best parameter set
----------------------
Read data base file, please wait.

Parameters:
---
rtc01: 317.64976692460783
rrc01: 0.005408439848515153
rtc02: 431.99953974160167
rrc02: 0.007204225120077231

Simulation input file with best parameter set written.
Task finished.

[benutzer@buexhpc2 reproduktion]$ python3 ../propti_analyse.py . --run_best

* Loading information of the optimisation process.
----------------------
Loading complete.

- run simulation(s) of best parameter set
----------------------

simulaton setup set
-------------------
id: 0, name: tga_analysis_02, workdir: TGA_analysis_02_5K_tga
name: ref_temp_comp_01, value: None
name: ref_rate_comp_01, value: None
name: ref_temp_comp_02, value: None
name: ref_rate_comp_02, value: None
name: heating rate, value: 10
name: chid, value: TGA_analysis_02
id: 1, name: tga_analysis_02, workdir: TGA_analysis_02_10K_tga
name: ref_temp_comp_01, value: None
name: ref_rate_comp_01, value: None
name: ref_temp_comp_02, value: None
name: ref_rate_comp_02, value: None
name: heating rate, value: 10
name: chid, value: TGA_analysis_02
id: 2, name: tga_analysis_02, workdir: TGA_analysis_02_15K_tga
name: ref_temp_comp_01, value: None
name: ref_rate_comp_01, value: None
name: ref_temp_comp_02, value: None
name: ref_rate_comp_02, value: None
name: heating rate, value: 10
name: chid, value: TGA_analysis_02

parameter set
-------------
name: ref_temp_comp_01, value: None
name: ref_rate_comp_01, value: None
name: ref_temp_comp_02, value: None
name: ref_rate_comp_02, value: None

optimiser properties
--------------------
alg: sceua
rep: 450
ngs: 4
db_name: propti_db
db_type: csv
db_precision:
execution mode: serial
number of sub-processes: 1
mpi mode: False
```