diff --git a/examples/gwk_compressor_casegeneration/Snakefile b/examples/gwk_compressor_casegeneration/Snakefile
index b019c22eb8610fc106ca3bd5073cd773665f2b82..03809d98709579875815ca44afff092702725d89 100644
--- a/examples/gwk_compressor_casegeneration/Snakefile
+++ b/examples/gwk_compressor_casegeneration/Snakefile
@@ -11,8 +11,10 @@ validate(config,"config.schema.yaml")
basedir = workflow.current_basedir
# declare a dataframe to be a paramspace
-paramspace = Paramspace(pd.read_csv("params.tsv", sep="\t"))
-paramspace.param_sep="-"
+PARAMS=pd.read_csv("caseparams.tsv", sep="\t")
+validate(PARAMS, "case.schema.yaml")
+paramspace = Paramspace(PARAMS)
+#paramspace.param_sep="-"
#paramspace.pattern="{}~{}~{}"
def create_filelist_from_template(template):
@@ -38,30 +40,29 @@ rule all:
# Aggregate over entire parameter space (or a subset thereof if needed)
# of course, something like this can happen anywhere in the workflow (not
# only at the end).
- #create_filelist_from_template(TEMPLATE)
- "99_Report/parametrization.txt"
- #expand("results/plots/{params}.pdf", params=paramspace.instance_patterns)
-
+ *[f"{instance_pattern}/{file}" for instance_pattern in paramspace.instance_patterns for file in DATASETS]
rule copy_template:
output:
- #todo: is there a readable dataformat alternative (csv) instead of pickle?
- #dynamic("01_case/{case_type}/{case_files}"),
- create_filelist_from_template(TEMPLATE)
- #dynamic("01_case/{level_1}/{level_2}"),
-# "01_case/check.txt"
+ # format a wildcard pattern like "alpha~{alpha}/beta~{beta}/gamma~{gamma}"
+ # into a file path, with alpha, beta, gamma being the columns of the data frame
+ *[f"{paramspace.wildcard_pattern}/{file}" for file in DATASETS]
params:
case_type = config["case_params"]["case_type"],
- case_parameters = config["case_params"]["parameters"]
+ # automatically translate the wildcard values into an instance of the param space
+ # in the form of a dict (here: {"alpha": ..., "beta": ..., "gamma": ...})
+ simulation=paramspace.instance
run:
from case_creation import copy_template
- copy_template(output,params["case_type"],params["case_parameters"])
+ copy_template(output,params["case_type"],params["simulation"])
+"""
rule set_paras:
input:
- create_filelist_from_template(TEMPLATE)
+ [os.path.join("01_case",i) for i in create_filelist_from_template(TEMPLATE)]
output:
"99_Report/parametrization.txt"
run:
with open(output[0],"w") as fhandle:
fhandle.write(" ")
+"""
diff --git a/examples/gwk_compressor_casegeneration/case.schema.yaml b/examples/gwk_compressor_casegeneration/case.schema.yaml
new file mode 100644
index 0000000000000000000000000000000000000000..db7b14e0e8061aab85c689964af2bf258663c727
--- /dev/null
+++ b/examples/gwk_compressor_casegeneration/case.schema.yaml
@@ -0,0 +1,103 @@
+$schema: "http://json-schema.org/draft-06/schema#"
+
+description: case configuration file
+
+type: object
+properties:
+ OUTFLOW_PRESSURE:
+ type: number
+ default: 101350
+ GLOBAL_TOLERANCE:
+ type: number
+ default: 0.00000012
+ LENGTH_YPER:
+ type: number
+ default: 0.0765
+ STAGPOINT_ANNOMALLYFIX:
+ type: string
+ default: "yes_placeholder"
+ QUASIUNSTEADYMODEL:
+ type: string
+ default: "no_placeholder"
+ STAGPOINT_ANNOMALLYFIX:
+ type: string
+ default: "yes_placeholder"
+ QUASIUNSTEADYMODEL:
+ type: string
+ default: "yes_placeholder"
+ WAVINESSMODEL:
+ type: string
+ default: "no_placeholder"
+ VERSION_TWONULLNULLNINE:
+ type: string
+ default: "no_placeholder"
+ HEATFLUXMODEL:
+ type: string
+ default: "no_placeholder"
+ PRANDTLTURBULENT:
+ type: string
+ default: "no_placeholder"
+ ROTATIONAL_EFF:
+ type: string
+ default: "no_placeholder"
+ TRANSITIONMODEL:
+ type: string
+ default: "no_placeholder"
+ VGJMODEL:
+ type: string
+ default: "no_placeholder"
+ ACCURACY_ORDER:
+ type: number
+ default: 2
+ OUTLET_MFLOW:
+ type: number
+ default: 0.00035
+ min: 0
+ OUTLET_RADIAL_EQUI:
+ type: string
+ default: "no_placeholder"
+ INLET_TOTAL_PRESSURE:
+ type: number
+ default: 283.15
+ min: 0
+ VEL_YANGLE:
+ type: number
+ default: 0
+ ABS_STAGN_TEMP:
+ type: number
+ default: 300
+ min: 0
+ TURBULENTINTENSITY:
+ type: number
+ default: 0.04
+ min: 0
+ TURBULENTLENGTHSCALE:
+ type: number
+ default: 0.002
+ min: 0
+ INLET_TEMP:
+ type: number
+ default: 300
+ INLET_VELX:
+ type: number
+ default: 30
+ INLET_VELY:
+ type: number
+ default: 40
+ INLET_VELZ:
+ type: number
+ default: 0
+ OUTFLOW_TEMP:
+ type: number
+ default: 290
+ OUTFLOW_VELX:
+ type: number
+ default: 40
+ OUTFLOW_VELY:
+ type: number
+ default: 30
+ OUTFLOW_VELZ:
+ type: number
+ default: 0
+required: []
+additionalProperties: false
diff --git a/examples/gwk_compressor_casegeneration/case_creation.py b/examples/gwk_compressor_casegeneration/case_creation.py
index b21927a6323da13401579bccdca5e69454719cf1..821996e5122395fd7bce6f3ef5c6cdace2ec8767 100644
--- a/examples/gwk_compressor_casegeneration/case_creation.py
+++ b/examples/gwk_compressor_casegeneration/case_creation.py
@@ -9,10 +9,16 @@ import warnings
from ntrfc.utils.dictionaries.dict_utils import setInDict
from ntrfc.utils.dictionaries.dict_utils import nested_dict_pairs_iterator
+def TEMPLATEDIR():
+ import ntrfc.database.case_templates as templates
+
+ templatepath = os.path.join(os.path.dirname(templates.__file__))
+ return templatepath
+
#todo: at least the next two lines have to be fixed
-TEMPLATEDIR = r"D:\CodingProjects\NTRfC\ntrfc\database\case_templates"
-path_to_sim=r"D:\CodingProjects\NTRfC\examples\gwk_compressor_casegeneration\01_case"
-TEMPLATES = [i for i in os.listdir(TEMPLATEDIR) if os.path.isdir(os.path.join(TEMPLATEDIR, i))]
+path_to_sim=r"D:\CodingProjects\NTRfC\examples\gwk_compressor_casegeneration"
+
+TEMPLATES = [i for i in os.listdir(TEMPLATEDIR()) if os.path.isdir(os.path.join(TEMPLATEDIR(), i))]
def get_directory_structure(rootdir):
"""
@@ -121,12 +127,12 @@ def inplace_change(filename, old_string, new_string):
with open(filename) as f:
s = f.read()
if old_string not in s:
- print('"{old_string}" not found in {filename}.'.format(**locals()))
+ #print('"{old_string}" not found in {filename}.'.format(**locals()))
return
# Safely write the changed content, if found in the file
with open(filename, 'w') as f:
- print('Changing "{old_string}" to "{new_string}" in {filename}'.format(**locals()))
+ print('Inserting "{old_string}" to "{new_string}" in {filename}'.format(**locals()))
s = s.replace(old_string, new_string)
f.write(s)
@@ -142,8 +148,8 @@ def copy_template(output, template, paras):
found = template in TEMPLATES
assert found, "template unknown. check ntrfc.database.casetemplates directory"
- case_structure = get_directory_structure(os.path.join(TEMPLATEDIR, template))
- variables = find_vars_opts(case_structure, "var", list(nested_dict_pairs_iterator(case_structure)),os.path.join(TEMPLATEDIR))
+ case_structure = get_directory_structure(os.path.join(TEMPLATEDIR(), template))
+ variables = find_vars_opts(case_structure, "var", list(nested_dict_pairs_iterator(case_structure)),os.path.join(TEMPLATEDIR()))
defined, undefined, used, unused = check_settings_necessarities(variables, paras)
print("found ", str(len(defined)), " defined parameters")
@@ -153,15 +159,13 @@ def copy_template(output, template, paras):
if len(undefined)>0:
warnings.warn("undefined variables")
- warnings.warn(str(undefined))
return -1
if len(unused)>0:
warnings.warn("unused "+str(len(unused)))
- warnings.warn(str(unused))
for fpath in output:
- template_fpath = os.path.join(TEMPLATEDIR,fpath)
+ template_fpath = os.path.join(TEMPLATEDIR(),fpath)
shutil.copyfile(template_fpath, fpath)
for para in used:
- inplace_change(fpath,para,paras[para])
+ inplace_change(fpath,para,str(paras[para]))
diff --git a/examples/gwk_compressor_casegeneration/caseparams.tsv b/examples/gwk_compressor_casegeneration/caseparams.tsv
new file mode 100644
index 0000000000000000000000000000000000000000..7dc27ca070e21d58442d5bbe42b075f93d2fa078
--- /dev/null
+++ b/examples/gwk_compressor_casegeneration/caseparams.tsv
@@ -0,0 +1,2 @@
+OUTFLOW_PRESSURE
+120000
diff --git a/examples/gwk_compressor_casegeneration/casesettings.yaml b/examples/gwk_compressor_casegeneration/casesettings.yaml
index eb872a6a0bee7a8a5866cf82fc749c5eeca35568..ce1ddf9d0a010a40fc4d74ab68d83c48257ce034 100644
--- a/examples/gwk_compressor_casegeneration/casesettings.yaml
+++ b/examples/gwk_compressor_casegeneration/casesettings.yaml
@@ -1,5 +1,2 @@
case_params:
case_type: "trace-compressor-cascade-ras"
- parameters:
- LENGTH_YPER: 0.0765
-
diff --git a/examples/gwk_compressor_casegeneration/config.schema.yaml b/examples/gwk_compressor_casegeneration/config.schema.yaml
index c222b379ff16f2f656ea7159190dcdadaff2341c..81a722dc72ef71aab5918e16ad63461fb794025f 100644
--- a/examples/gwk_compressor_casegeneration/config.schema.yaml
+++ b/examples/gwk_compressor_casegeneration/config.schema.yaml
@@ -10,112 +10,10 @@ properties:
properties:
case_type:
type: string
- parameters:
- type: object
- properties:
- TRACE_CONTROLINPUT:
- type: string
- default: ""
- OUTFLOW_PRESSURE:
- type: number
- default: 101350
- GLOBAL_TOLERANCE:
- type: number
- default: 0.00000012
- LENGTH_YPER:
- type: number
- STAGPOINT_ANNOMALLYFIX:
- type: string
- default: "yes_placeholder"
- QUASIUNSTEADYMODEL:
- type: string
- default: "no_placeholder"
- STAGPOINT_ANNOMALLYFIX:
- type: string
- default: "yes_placeholder"
- QUASIUNSTEADYMODEL:
- type: string
- default: "yes_placeholder"
- WAVINESSMODEL:
- type: string
- default: "no_placeholder"
- VERSION_TWONULLNULLNINE:
- type: string
- default: "no_placeholder"
- HEATFLUXMODEL:
- type: string
- default: "no_placeholder"
- PRANDTLTURBULENT:
- type: string
- default: "no_placeholder"
- ROTATIONAL_EFF:
- type: string
- default: "no_placeholder"
- TRANSITIONMODEL:
- type: string
- default: "no_placeholder"
- VGJMODEL:
- type: string
- default: "no_placeholder"
- ACCURACY_ORDER:
- type: number
- default: 2
- OUTLET_MFLOW:
- type: number
- default: 0.00035
- min: 0
- OUTLET_RADIAL_EQUI:
- type: string
- default: "no_placeholder"
- INLET_TOTAL_PRESSURE:
- type: number
- default: 283.15
- min: 0
- VEL_YANGLE:
- type: number
- default: 0
- ABS_STAGN_TEMP:
- type: number
- default: 300
- min: 0
- TURBULENTINTENSITY:
- type: number
- default: 0.04
- min: 0
- TURBULENTLENGTHSCALE:
- type: number
- default: 0.002
- min: 0
- INLET_TEMP:
- type: number
- default: 300
- INLET_VELX:
- type: number
- default: 30
- INLET_VELY:
- type: number
- default: 40
- INLET_VELZ:
- type: number
- default: 0
- OUTFLOW_TEMP:
- type: number
- default: 290
- OUTFLOW_VELX:
- type: number
- default: 40
- OUTFLOW_VELY:
- type: number
- default: 30
- OUTFLOW_VELZ:
- type: number
- default: 0
- required:
- - LENGTH_YPER
+ pattern : trace-compressor-cascade-ras
required:
- case_type
- - parameters
required:
- case_params
diff --git a/examples/gwk_compressor_casegeneration/params.tsv b/examples/gwk_compressor_casegeneration/params.tsv
deleted file mode 100644
index 14dee8cd44c6a6c1085c3a3a4ed6cee58e862193..0000000000000000000000000000000000000000
--- a/examples/gwk_compressor_casegeneration/params.tsv
+++ /dev/null
@@ -1,3 +0,0 @@
-param_1 param_2 param_3
-1 2 3
-4 3 2
diff --git a/examples/gwk_compressor_casegeneration/snakedev.py b/examples/gwk_compressor_casegeneration/snakedev.py
index cc8520c3af144a37d1471b0fb096dfd979431a0b..39bcfd514b6d98644e4c0a3a98c48fde39d1625f 100644
--- a/examples/gwk_compressor_casegeneration/snakedev.py
+++ b/examples/gwk_compressor_casegeneration/snakedev.py
@@ -1,6 +1,3 @@
import snakemake
-c = snakemake.load_configfile("casesettings.yaml")
-snakemake.utils.validate(c,'config.schema.yaml')
-
snakemake.snakemake(snakefile="Snakefile",)
diff --git a/ntrfc/database/case_templates/trace-compressor-cascade-ras/input/TRACE_control.input b/ntrfc/database/case_templates/trace-compressor-cascade-ras/input/TRACE_control.input
index 0b52979f2a6802b337369ec64e94c68795a630fc..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 100644
--- a/ntrfc/database/case_templates/trace-compressor-cascade-ras/input/TRACE_control.input
+++ b/ntrfc/database/case_templates/trace-compressor-cascade-ras/input/TRACE_control.input
@@ -1 +0,0 @@
-<var TRACE_CONTROLINPUT var>
\ No newline at end of file
diff --git a/ntrfc/database/case_templates/trace-compressor-cascade-ras/input/verdichter.jou b/ntrfc/database/case_templates/trace-compressor-cascade-ras/input/verdichter.jou
index b2cd0c8434c13efded177057676f8379adbe9d3d..93f4ff0ba2132ced393ffa4c1c43c6daab77ab13 100644
--- a/ntrfc/database/case_templates/trace-compressor-cascade-ras/input/verdichter.jou
+++ b/ntrfc/database/case_templates/trace-compressor-cascade-ras/input/verdichter.jou
@@ -1,6 +1,6 @@
# journal recorded by gmc_v9.1.8 at 2021/06/11 14:58:57
-gmc -> open '<var MESHNAME var>'
+gmc -> open mesh.cgns
gmc -> repair