Simplify convergence strategies (#821)

* Remove support for specific convergence strategy

* Update schema, remove specific convergence strategy

* Add stop_if_converged property

* Add support for stop_if_converged in simulation

* Reintroduce support for lock_t_inner_cycles

* Fix use of convergence_strategy.fraction

* Remove damping_constant and threshold from schema

* Update parsing of convergence strategy

* remove the addition of unused properties to t_rad, t_inner and w

* Fix issues in montecarlo schema

* Add custom convergence strategy, damped as default

* Add check for convergence_strategy type

* Update test files to work with new convergence

tardis/io/config_reader.py

@@ -30,9 +30,7 @@ def parse_convergence_section(convergence_section_dict):
         dictionary
     """
 
-
-    convergence_parameters = ['damping_constant', 'threshold', 'fraction',
-            'hold_iterations']
+    convergence_parameters = ['damping_constant', 'threshold']
 
     for convergence_variable in ['t_inner', 't_rad', 'w']:
         if convergence_variable not in convergence_section_dict:
@@ -260,9 +258,17 @@ def from_config_dict(cls, config_dict, validate=True, config_dirname=''):
         validated_config_dict['config_dirname'] = config_dirname
 
         montecarlo_section = validated_config_dict['montecarlo']
-        montecarlo_section['convergence_strategy'] = (
-                parse_convergence_section(
-                    montecarlo_section['convergence_strategy']))
+        if montecarlo_section['convergence_strategy']['type'] == "damped":
+            montecarlo_section['convergence_strategy'] = (
+                    parse_convergence_section(
+                        montecarlo_section['convergence_strategy']))
+        elif montecarlo_section['convergence_strategy']['type'] == "custom":
+            raise NotImplementedError(
+                'convergence_strategy is set to "custom"; '
+                'you need to implement your specific convergence treatment')
+        else:
+            raise ValueError('convergence_strategy is not "damped" '
+                             'or "custom"')
 
         return cls(validated_config_dict)
 

tardis/io/schemas/montecarlo.yml

@@ -75,7 +75,7 @@ properties:
   convergence_strategy:
     oneOf:
     - $ref: '#/definitions/convergence_strategy/damped'
-    - $ref: '#/definitions/convergence_strategy/specific'
+    - $ref: '#/definitions/convergence_strategy/custom'
     default:
       type: 'damped'
 required:
@@ -88,75 +88,17 @@ definitions:
       type: object
       additionalProperties: false
       properties:
-        type:
-          enum:
-          - damped
-        damping_constant:
-          type: number
-          default: 0.5
-          description: damping constant
-        t_inner:
-          type: object
-          additionalProperties: false
-          properties:
-            damping_constant:
-              type: number
-              default: 0.5
-              description: damping constant
-            threshold:
-              type: number
-              description: specifies the threshold that is taken as convergence  (i.e.
-                0.05 means that the value does not change more than 5%)
-        t_rad:
-          type: object
-          additionalProperties: false
-          properties:
-            damping_constant:
-              type: number
-              default: 0.5
-              description: damping constant
-            threshold:
-              type: number
-              description: specifies the threshold that is taken as convergence  (i.e.
-                0.05 means that the value does not change more than 5%)
-          required:
-          - threshold
-        w:
-          type: object
-          additionalProperties: false
-          properties:
-            damping_constant:
-              type: number
-              default: 0.5
-              description: damping constant
-            threshold:
-              type: number
-              description: specifies the threshold that is taken as convergence  (i.e.
-                0.05 means that the value does not change more than 5%)
-          required:
-          - threshold
-        lock_t_inner_cycles:
-          type: number
-          multipleOf: 1.0
-          default: 1
-          description: The number of cycles to lock the update of the inner boundary
-            temperature. This process helps with convergence. The default is to switch
-            it off (1 cycle)
-        t_inner_update_exponent:
-          type: number
-          default: -0.5
-          description: L=4*pi*r**2*T^y
-    specific:
-      type: object
-      additionalProperties: false
       properties:
         type:
           enum:
-          - specific
-        threshold:
-          type: number
-          description: specifies the threshold that is taken as convergence  (i.e.
-            0.05 means that the value does not change more than 5%)
+          - damped
+        default: damped
+        stop_if_converged:
+          type: boolean
+          default: false
+          description: stop plasma iterations before number of specified
+            iterations are reached if the simulation is plasma and inner
+            boundary state is converged
         fraction:
           type: number
           default: 0.8
@@ -169,6 +111,15 @@ definitions:
           default: 3
           description: the number of iterations that the convergence criteria need
             to be fulfilled before TARDIS accepts the simulation as converged
+        damping_constant:
+          type: number
+          default: 1.0
+          description: damping constant
+        threshold:
+          type: number
+          default: 0.05
+          description: specifies the threshold that is taken as convergence  (i.e.
+            0.05 means that the value does not change more than 5%)
         t_inner:
           type: object
           additionalProperties: false
@@ -216,15 +167,21 @@ definitions:
           description: The number of cycles to lock the update of the inner boundary
             temperature. This process helps with convergence. The default is to switch
             it off (1 cycle)
-        damping_constant:
-          type: number
-          default: 0.5
-          description: damping constant
         t_inner_update_exponent:
           type: number
           default: -0.5
           description: L=4*pi*r**2*T^y
-      required:
-      - threshold
-      - fraction
-      - hold_iterations
+    custom:
+      type: object
+      additionalProperties: false
+      properties:
+        type:
+          enum:
+          - custom
+        description: Use this convergence_strategy for your specific needs. You
+          need to change the codebase accordingly
+    required:
+    - fraction
+    - damping_constant
+    - threshold
+    - hold_iterations

tardis/io/tests/data/tardis_configv1_ascii_density_abund.yml

@@ -11,7 +11,7 @@ supernova:
 atom_data: kurucz_atom_pure_simple.h5
 
 model:
-            
+
     structure:
         type: file
         filename: density.dat
@@ -35,7 +35,7 @@ montecarlo:
     seed: 23111963
     no_of_packets : 1.0e+5
     iterations: 20
-    
+
     black_body_sampling:
         start: 1 angstrom
         stop: 1000000 angstrom
@@ -44,28 +44,15 @@ montecarlo:
     no_of_virtual_packets: 5
 
     convergence_strategy:
-        type: specific
+        type: damped
         damping_constant: 1.0
         threshold: 0.05
         fraction: 0.8
         hold_iterations: 3
         t_inner:
             damping_constant: 1.0
-    
+
 spectrum:
     start : 500 angstrom
     stop : 20000 angstrom
     num: 10000
-
-
-
-
-
-
-
-
-
-
-
-
-

tardis/io/tests/data/tardis_configv1_uniform_density.yml

@@ -48,7 +48,7 @@ montecarlo:
     no_of_virtual_packets: 10
 
     convergence_strategy:
-        type: specific
+        type: damped
         damping_constant: 1.0
         threshold: 0.05
         fraction: 0.8

tardis/io/tests/data/tardis_configv1_verysimple.yml

@@ -39,6 +39,12 @@ montecarlo:
     iterations: 5
     last_no_of_packets: 5.0e+5
     no_of_virtual_packets: 5
+    convergence_strategy:
+      type: damped
+      damping_constant: 0.5
+      threshold: 0.05
+      lock_t_inner_cycles: 1
+      t_inner_update_exponent: -0.5
 
 spectrum:
     start: 500 angstrom

tardis/plasma/tests/data/plasma_test_config_lte.yml

@@ -40,6 +40,12 @@ montecarlo:
     iterations: 10
     last_no_of_packets: 1.0e+5
     no_of_virtual_packets: 5
+    convergence_strategy:
+      type: damped
+      damping_constant: 0.5
+      threshold: 0.05
+      lock_t_inner_cycles: 1
+      t_inner_update_exponent: -0.5
 
 spectrum:
     start: 500 angstrom

tardis/plasma/tests/data/plasma_test_config_nlte.yml

@@ -42,6 +42,12 @@ montecarlo:
     iterations: 10
     last_no_of_packets: 1.0e+5
     no_of_virtual_packets: 5
+    convergence_strategy:
+      type: damped
+      damping_constant: 0.5
+      threshold: 0.05
+      lock_t_inner_cycles: 1
+      t_inner_update_exponent: -0.5
 
 spectrum:
     start: 500 angstrom