File size: 31,379 Bytes
5f2f48d | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 | """CHEM-105 finite EQCM educational process; trusted host API, no experimental calibration."""
from pathlib import Path
import copy,math,json,importlib.util
PROTOCOL_VERSION='1.0.0';SLUG='ch_chi440c';CATALOG_ID='CHEM-105';ASSET_TYPE_ID='instrument.'+SLUG
ROOT=Path(__file__).resolve().parents[2];TEMPLATE_REL='assets/expansion_batch04/t4_measure/'+SLUG+'/qcm_material_library.json'
class ActionRejected(ValueError):pass
def number(unit='1',lo=None,hi=None):
d={'type':'number','x-unit':unit}
if lo is not None:d['minimum']=lo
if hi is not None:d['maximum']=hi
return d
def obj(p):return dict(type='object',properties=p,required=list(p),additionalProperties=False)
def arr(v,n=None):
d=dict(type='array',items=v)
if n is not None:d.update(minItems=n,maxItems=n)
return d
def nullable(s):return {'anyOf':[s,{'type':'null'}]}
def enum(v):return {'type':'string','enum':v}
TEXT={'type':'string'};BOOL={'type':'boolean'};ISO=enum(['2H','13C','15N','18O','34S']);PHASE=enum(['idle','running','succeeded','cancelled','failed'])
def validate(s,v):
if 'anyOf' in s:
for q in s['anyOf']:
try:validate(q,v);return
except ActionRejected:pass
raise ActionRejected('INVALID_ARGUMENT')
t=s.get('type')
if t in ('number','integer'):
if isinstance(v,bool) or not isinstance(v,(int,float)) or not math.isfinite(v) or (t=='integer' and type(v) is not int) or not s.get('minimum',-math.inf)<=v<=s.get('maximum',math.inf):raise ActionRejected('INVALID_ARGUMENT')
elif t=='boolean' and type(v) is not bool:raise ActionRejected('INVALID_ARGUMENT')
elif t=='string' and not isinstance(v,str):raise ActionRejected('INVALID_ARGUMENT')
elif t=='null' and v is not None:raise ActionRejected('INVALID_ARGUMENT')
elif t=='object':
if not isinstance(v,dict) or not set(s.get('required',[]))<=v.keys() or set(v)-set(s['properties']):raise ActionRejected('INVALID_ARGUMENT')
for k,x in v.items():validate(s['properties'][k],x)
elif t=='array':
if not isinstance(v,list) or not s.get('minItems',0)<=len(v)<=s.get('maxItems',math.inf):raise ActionRejected('INVALID_ARGUMENT')
for x in v:validate(s['items'],x)
if 'enum' in s and v not in s['enum']:raise ActionRejected('INVALID_ARGUMENT')
F=96485.33212;R=8.31446261815324;T=298.15
CRYSTAL=obj({'fundamental_hz':number('Hz',1e6,2e7),'area_m2':number('m^2',1e-7,1e-3),'quartz_density_kg_m3':number('kg/m^3',2000,3000),'shear_modulus_pa':number('Pa',1e10,1e11),'frequency_quantum_hz':number('Hz',.001,.099),'max_relative_shift':number('1',1e-6,.01),'accept_rigid_thinfilm':BOOL})
CRYSTAL_EXAMPLE=dict(fundamental_hz=7995000.,area_m2=1.96e-5,quartz_density_kg_m3=2684.,shear_modulus_pa=2.947e10,frequency_quantum_hz=.05,max_relative_shift=.01,accept_rigid_thinfilm=True)
SEGMENT=obj({'duration_s':number('s',.001,1000),'potential_v':number('V',-10,10),'current_a':number('A',-.25,.25)})
METHOD=obj({'mode':enum(['potential','current','qcm_only']),'steps':dict(arr(SEGMENT),minItems=1,maxItems=320),'sample_interval_s':number('s',.001,10),'reference_electrode':TEXT})
METHOD_EXAMPLE=dict(mode='current',steps=[dict(duration_s=2.,potential_v=0.,current_a=1e-5),dict(duration_s=1.,potential_v=0.,current_a=-1e-5)],sample_interval_s=.1,reference_electrode='explicit synthetic E0 reference')
SAMPLE=obj({'sample_id':TEXT,'substance_id':TEXT,'process':enum(['electrodeposition','adsorption']),'volume_m3':number('m^3',1e-9,1e-5),'concentration_mol_m3':number('mol/m^3',1e-9,1e4),'formal_potential_v':number('V',-10,10),'exchange_current_a':number('A',1e-12,.1),'series_resistance_ohm':number('ohm',0,1e9),'site_capacity_mol':number('mol',1e-15,1e-3),'adsorption_on_m3_mol_s':number('m^3/(mol*s)',0,1e6),'desorption_off_s':number('1/s',0,1e6),'accept_kinetics_surrogate':BOOL})
SAMPLE_EXAMPLE=dict(sample_id='copper_bath',substance_id='copper',process='electrodeposition',volume_m3=1e-6,concentration_mol_m3=1.,formal_potential_v=0.,exchange_current_a=1e-5,series_resistance_ohm=10.,site_capacity_mol=1e-8,adsorption_on_m3_mol_s=0.,desorption_off_s=0.,accept_kinetics_surrogate=True)
ADSORPTION_EXAMPLE=dict(SAMPLE_EXAMPLE,sample_id='ethanol_adsorption_surrogate',substance_id='ethanol',process='adsorption',site_capacity_mol=1e-9,adsorption_on_m3_mol_s=.5,desorption_off_s=.1)
POINT=obj({'time_s':number('s',0),'window_s':number('s',0),'potential_v':number('V',-10,10),'current_a':number('A',-.25,.25),'frequency_hz':nullable(number('Hz',0)),'delta_frequency_hz':nullable(number('Hz')),'inferred_delta_mass_kg':nullable(number('kg'))})
RESULT=obj({'phase':PHASE,'complete':BOOL,'elapsed_s':number('s',0),'points':arr(POINT),'template_source':TEXT,'evidence':TEXT,'warnings':arr(TEXT)})
LEDGER=obj({'loaded_mass_kg':number('kg',0),'solution_mass_kg':number('kg',0),'film_mass_kg':number('kg',0),'returned_mass_kg':number('kg',0),'waste_mass_kg':number('kg',0),'mass_residual_kg':number('kg'),'charge_c':number('C'),'electron_mol':number('mol'),'charge_residual_c':number('C'),'sample_id':TEXT})
CAPS={};UNSUPPORTED={'voltammetry.full_suite','qcmd.acquire','resistance.acquire','hardware.connect'}
def cap(k,i,o,c,z,kind='device_command',vis='agent',ex=None,effects=None):CAPS[k]=(i,o,c,z,kind,vis,ex or {},effects or [])
cap('crystal.configure',CRYSTAL,obj({'configured':BOOL,'sensitivity_hz_kg':number('Hz/kg',0)}),['quartz_crystal','oscillator'],'显式晶体与薄膜适用性参数;初始化时设置','configuration','evaluator',CRYSTAL_EXAMPLE,['crystal.configured'])
cap('method.configure',METHOD,obj({'configured':BOOL}),['controller'],'电位/电流台阶或仅QCM;采样≥1ms','configuration','agent',METHOD_EXAMPLE,['method.configured'])
cap('sample.load',SAMPLE,obj({'loaded':BOOL}),['sample_cell','gold_electrode'],'宿主装入有限浴液和显式动力学参数','configuration','evaluator',SAMPLE_EXAMPLE,['sample.loaded','sample.identity'])
cap('sample.unload',obj({}),obj({'returned_mass_kg':number('kg',0)}),['sample_cell'],'开盖后归还剩余浴液;晶体膜保留','device_command','evaluator',effects=['sample.loaded','sample.identity'])
cap('crystal.clean',obj({}),obj({'waste_mass_kg':number('kg',0)}),['quartz_crystal','gold_electrode'],'开盖且排液后将膜转入废物账本;不凭空抹除质量','device_command','evaluator')
cap('lid.set',obj({'lift_m':number('m',0,.05)}),obj({'lift_m':number('m',0,.05)}),['cell_lid'],'人工释放螺钉后的盖抬升姿态;非电动开盖',ex={'lift_m':.05},effects=['lid.lift_m'])
cap('power.set',obj({'enabled':BOOL}),obj({'enabled':BOOL}),['controller','oscillator'],'逻辑电源与停止;不模拟高频晶体变形',ex={'enabled':True},effects=['power.enabled','acquisition.phase'])
cap('baseline.zero',obj({}),obj({'baseline_hz':number('Hz',0)}),['quartz_crystal','oscillator'],'仅捕获已有频率观测作为零基线,不改变膜质量',effects=['frequency.baseline_hz'])
cap('acquisition.start',obj({}),obj({'phase':PHASE,'operation_id':TEXT}),['controller','oscillator','gold_electrode'],'异步有限沉积/溶解/吸附与同步频率电流采集',effects=['acquisition.phase','acquisition.elapsed_s'])
cap('acquisition.stop',obj({}),obj({'phase':PHASE}),['controller'],'停止;保留材料、电荷和已采数据',effects=['acquisition.phase'])
cap('process.measure',obj({}),RESULT,['controller','oscillator'],'读取电流、电位、频移及由观测频移推断质量','query')
cap('template.read',obj({'substance_id':TEXT}),obj({'substance_id':TEXT,'molar_mass_kg_mol':number('kg/mol',0),'template_source':TEXT,'evidence':TEXT}),['gold_electrode'],'查询公开摩尔质量;无真实QCM响应曲线','query',ex={'substance_id':'copper'})
cap('ledger.read',obj({}),LEDGER,['sample_cell','gold_electrode'],'宿主验证有限物质与电荷守恒','query','evaluator')
for k in UNSUPPORTED:cap(k,obj({}),obj({}),['controller'],'当前子集未实现')
SLOTS={};SLOT_ZH={}
def slot(k,s,u,z,o='derived',v='agent',c='controller',w=None):SLOTS[k]=(s,u,o,v,[c],w);SLOT_ZH[k]=z
for k in ['crystal','method']:slot(k+'.configured',BOOL,'1',k+'参数已配置','setpoint')
slot('power.enabled',BOOL,'1','逻辑电源','setpoint',w=('power.set','enabled'));slot('lid.lift_m',number('m',0,.05),'m','盖实际抬升;人工拆装抽象','scene',c='cell_lid',w=('lid.set','lift_m'))
slot('sample.loaded',BOOL,'1','有限浴液已装入');slot('sample.identity',TEXT,'1','样品身份','process_truth','evaluator','sample_cell');slot('film.true_mass_kg',number('kg',0),'kg','有限薄膜真实质量','process_truth','evaluator','gold_electrode')
for k,u,z in [('frequency.true_hz','Hz','过程真频率'),('frequency.hz','Hz','理想计数量化后的频率'),('frequency.delta_hz','Hz','相对观测基线频移'),('mass.inferred_delta_kg','kg','从观测频移换算的质量变化'),('current.a','A','区间平均电流'),('potential.v','V','相对明确参比的区间电位')]:slot(k,nullable(number(u)),u,z,'process_truth' if k=='frequency.true_hz' else 'derived','evaluator' if k=='frequency.true_hz' else 'agent',c='oscillator' if k.startswith('frequency') else 'controller')
slot('frequency.baseline_hz',nullable(number('Hz',0)),'Hz','观测零点,不是过程真质量归零','setpoint',c='oscillator');slot('frequency.quality',enum(['unavailable','estimated','invalid']),'1','薄膜条件与理想频率质量状态',c='oscillator');slot('acquisition.phase',PHASE,'1','采集任务状态');slot('acquisition.elapsed_s',number('s',0),'s','已处理采样时长');slot('acquisition.failure',TEXT,'1','无私有身份的失败码');slot('acquisition.completed_points',dict(number('1',0),type='integer'),'1','有效记录数')
def adsorb_exact(x,total,sites,ka,kd,volume,dt):
a=ka/volume
if a==0:return x*math.exp(-kd*dt)
b=a*(total+sites)+kd;c=a*total*sites;d=math.sqrt(max(0.,b*b-4*a*c))
if d<=1e-12*max(b,1e-300):r=b/(2*a);return r-(r-x)/(1+a*(r-x)*dt)
r1=2*c/(b+d);r2=(b+d)/(2*a);w=(x-r1)/(x-r2)*math.exp(-d*dt);return max(0.,min(total,sites,(r1-w*r2)/(1-w)))
class ChChi440cRuntime:
def __init__(self,instance_id='eqcm_01'):
self.instance_id=instance_id;self.time_s=0.;self.revision=0;self.powered=False;self.crystal=None;self.method=None;self.sample=None;self.lift=0.;self.phase='idle';self.elapsed=0.;self.points=[];self.solution=0.;self.film=0.;self.mw=0.;self.film_species='';self.loaded_mass=0.;self.returned_mass=0.;self.waste_mass=0.;self.charge=0.;self.electron_mol=0.;self.frequency=None;self.true_frequency=None;self.baseline=None;self.current=None;self.potential=None;self.quality='unavailable';self.failure='';self.sample_window=None;self.serial=0;self.operation_id=None;self.records={};self.pending=0.;self.ticks=0;self._principals={};self._requests={};self._owners={};self.templates=json.loads((ROOT/TEMPLATE_REL).read_text())['substances']
def register_principal(self,principal_id,visibility='agent'):
if visibility not in ['agent','evaluator','debug'] or principal_id in self._principals:raise ActionRejected('REQUEST_CONFLICT')
self._principals[principal_id]=visibility
def session(self,principal_id):
if principal_id not in self._principals:raise ActionRejected('ACCESS_DENIED')
return ChChi440cSession(self,principal_id)
def describe(self):return export_ch_chi440c_contract_metadata()
def sensitivity(self):
c=self.crystal;return 2*c['fundamental_hz']**2/(c['area_m2']*math.sqrt(c['quartz_density_kg_m3']*c['shear_modulus_pa']))
def delta(self):return self.frequency-self.baseline if self.frequency is not None and self.baseline is not None else None
def inferred(self):return -self.delta()/self.sensitivity() if self.delta() is not None else None
def read(self,visibility='agent'):
d={'crystal.configured':self.crystal is not None,'method.configured':self.method is not None,'power.enabled':self.powered,'lid.lift_m':self.lift,'sample.loaded':self.sample is not None,'sample.identity':self.sample['sample_id'] if self.sample else '','film.true_mass_kg':self.film*self.mw,'frequency.true_hz':self.true_frequency,'frequency.hz':self.frequency,'frequency.delta_hz':self.delta(),'mass.inferred_delta_kg':self.inferred(),'current.a':self.current,'potential.v':self.potential,'frequency.baseline_hz':self.baseline,'frequency.quality':self.quality,'acquisition.phase':self.phase,'acquisition.elapsed_s':self.elapsed,'acquisition.failure':self.failure,'acquisition.completed_points':len(self.points)}
return copy.deepcopy({k:v for k,v in d.items() if visibility!='agent' or SLOTS[k][3]=='agent'})
def _ledger(self):return dict(loaded_mass_kg=self.loaded_mass,solution_mass_kg=self.solution*self.mw,film_mass_kg=self.film*self.mw,returned_mass_kg=self.returned_mass,waste_mass_kg=self.waste_mass,mass_residual_kg=self.loaded_mass-self.returned_mass-self.waste_mass-(self.solution+self.film)*self.mw,charge_c=self.charge,electron_mol=self.electron_mol,charge_residual_c=self.charge-F*self.electron_mol,sample_id=self.sample['sample_id'] if self.sample else '')
def _result(self):return dict(phase=self.phase,complete=self.phase=='succeeded',elapsed_s=self.elapsed,points=copy.deepcopy(self.points),template_source='PubChem or NIST molar mass; sample identity withheld',evidence='public molar mass + documented Sauerbrey + synthetic finite kinetics; not measured QCM response',warnings=['Rigid thinfilm only; no liquid/viscoelastic dissipation correction','Frequency quantization is ideal; noise and calibration not measured','BV parameters/reference and adsorption affinity explicitly supplied assumptions','QCM sample limit1kHz; no claim of1MHz QCM acquisition'])
def invoke(self,k,**a):
if k not in CAPS:raise ActionRejected('UNKNOWN_CAPABILITY')
if k in UNSUPPORTED:raise ActionRejected('UNSUPPORTED')
validate(CAPS[k][0],a);before=copy.deepcopy(self.__dict__)
try:
r=self._invoke(k,a);validate(CAPS[k][1],r)
if CAPS[k][4] not in ['query','analysis']:self.revision+=1
return r
except Exception:self.__dict__.clear();self.__dict__.update(before);raise
def _observe(self):
self.true_frequency=self.crystal['fundamental_hz']-self.sensitivity()*self.film*self.mw
if abs(self.true_frequency-self.crystal['fundamental_hz'])>self.crystal['max_relative_shift']*self.crystal['fundamental_hz']:self.frequency=None;self.quality='invalid';return False
q=self.crystal['frequency_quantum_hz'];self.frequency=round(self.true_frequency/q)*q;self.quality='estimated';return True
def _invoke(self,k,a):
if k=='process.measure':return self._result()
if k=='ledger.read':return self._ledger()
if k=='template.read':
if a['substance_id'] not in self.templates:raise ActionRejected('UNKNOWN_REFERENCE')
t=self.templates[a['substance_id']];return dict(substance_id=a['substance_id'],molar_mass_kg_mol=t['molar_mass_kg_mol'],template_source=t['source']['url'],evidence=t['evidence'])
if k=='crystal.configure':
if self.crystal or self.powered or self.sample or not a['accept_rigid_thinfilm']:raise ActionRejected('INITIALIZATION_ONLY')
self.crystal=copy.deepcopy(a);return dict(configured=True,sensitivity_hz_kg=self.sensitivity())
if k=='power.set':
self.powered=a['enabled']
if not self.powered and self.phase=='running':self.phase='cancelled';self.records[self.operation_id]=self._result()
return a
if k=='acquisition.stop':
if self.phase!='running':raise ActionRejected('NOT_RUNNING')
self.phase='cancelled';self.records[self.operation_id]=self._result();return {'phase':self.phase}
if self.phase=='running':raise ActionRejected('BUSY')
if k=='lid.set':self.lift=a['lift_m'];return a
if k=='method.configure':
n=0
for s in a['steps']:
if (a['mode']!='potential' and s['potential_v']!=0.) or (a['mode']!='current' and s['current_a']!=0.):raise ActionRejected('UNUSED_CONTROL_NONZERO')
ticks=s['duration_s']/a['sample_interval_s']
if abs(ticks-round(ticks))>1e-8 or round(ticks)<1:raise ActionRejected('SAMPLE_GRID')
n+=round(ticks)
if n>20000:raise ActionRejected('POINT_LIMIT')
self.method=copy.deepcopy(a);return {'configured':True}
if k=='sample.load':
if not self.crystal or self.sample or self.film>0 or self.lift<.03 or not a['accept_kinetics_surrogate']:raise ActionRejected('LOAD_PRECONDITION')
if a['substance_id'] not in self.templates:raise ActionRejected('UNKNOWN_REFERENCE')
if a['process']=='electrodeposition' and a['substance_id']!='copper':raise ActionRejected('CHEMISTRY_UNSUPPORTED')
self.sample=copy.deepcopy(a);self.solution=a['volume_m3']*a['concentration_mol_m3'];self.mw=self.templates[a['substance_id']]['molar_mass_kg_mol'];self.film_species=a['substance_id'];self.loaded_mass+=self.solution*self.mw;return {'loaded':True}
if k=='sample.unload':
if not self.sample or self.lift<.03:raise ActionRejected('LID_OPEN_REQUIRED')
m=self.solution*self.mw;self.returned_mass+=m;self.solution=0.;self.sample=None;return {'returned_mass_kg':m}
if k=='crystal.clean':
if self.sample or self.lift<.03:raise ActionRejected('DRAIN_OPEN_REQUIRED')
m=self.film*self.mw;self.waste_mass+=m;self.film=0.;self.mw=0.;self.film_species='';return {'waste_mass_kg':m}
if k=='baseline.zero':
if self.frequency is None or self.quality!='estimated' or not self.powered:raise ActionRejected('NO_VALID_OBSERVATION')
self.baseline=self.frequency;return {'baseline_hz':self.baseline}
if k=='acquisition.start':
if not self.crystal or not self.method or not self.sample or not self.powered or self.lift>1e-12:raise ActionRejected('NOT_READY')
if (self.sample['process']=='adsorption')!=(self.method['mode']=='qcm_only'):raise ActionRejected('METHOD_PROCESS_MISMATCH')
self._observe()
if self.quality=='invalid':raise ActionRejected('THINFILM_DOMAIN')
if self.baseline is None:self.baseline=self.frequency
self.serial+=1;self.operation_id=f'{self.instance_id}:op:{self.serial}';self.phase='running';self.elapsed=0.;self.points=[];self.pending=0.;self.ticks=0;self.start_time=self.time_s;self.failure='';return dict(phase=self.phase,operation_id=self.operation_id)
raise ActionRejected('UNKNOWN_CAPABILITY')
def _tick(self,dt):
s=self.sample;m=self.method;offset=self.ticks;seg=None
for v in m['steps']:
count=round(v['duration_s']/dt)
if offset<count:seg=v;break
offset-=count
if seg is None:self.phase='succeeded';return
potential=0.;current=0.
if s['process']=='adsorption':
total=self.solution+self.film;new=adsorb_exact(self.film,total,s['site_capacity_mol'],s['adsorption_on_m3_mol_s'],s['desorption_off_s'],s['volume_m3'],dt);self.solution=total-new;self.film=new
else:
equilibrium=s['formal_potential_v']+R*T/(2*F)*math.log(max(1e-30,self.solution/s['volume_m3']))
def voltage(i):return equilibrium-R*T/F*math.asinh(i/(2*s['exchange_current_a']))-i*s['series_resistance_ohm']
if m['mode']=='current':
current=seg['current_a'];potential=voltage(current)
if abs(potential)>10.:self.failure='POTENTIAL_LIMIT';self.phase='failed';return
else:
potential=seg['potential_v']
if not voltage(.25)<=potential<=voltage(-.25):self.failure='CURRENT_LIMIT';self.phase='failed';return
lo=-.25;hi=.25
for _ in range(80):
mid=(lo+hi)/2
if voltage(mid)>potential:lo=mid
else:hi=mid
current=(lo+hi)/2
dn=current*dt/(2*F);actual=max(-self.film,min(self.solution,dn));self.solution-=actual;self.film+=actual;self.charge+=2*F*actual;self.electron_mol+=2*actual;current=2*F*actual/dt
if abs(actual-dn)>1e-24:self.failure='FINITE_MATERIAL_EXHAUSTED';self.phase='failed'
self.ticks+=1;self.elapsed=self.ticks*dt;self.current=current;self.potential=potential;self.sample_window=[self.start_time+self.elapsed-dt,self.start_time+self.elapsed]
if not self._observe():self.failure='THINFILM_DOMAIN';self.phase='failed'
self.points.append(dict(time_s=self.elapsed,window_s=dt,potential_v=potential,current_a=current,frequency_hz=self.frequency,delta_frequency_hz=self.delta(),inferred_delta_mass_kg=self.inferred()))
if self.phase=='running' and self.ticks>=sum(round(v['duration_s']/dt) for v in m['steps']):self.phase='succeeded'
def step(self,dt):
validate(number('s',0,86400),dt)
if dt==0:return
if self.phase=='running':
self.pending+=dt;interval=self.method['sample_interval_s']
while self.pending+1e-12>=interval and self.phase=='running':self._tick(interval);self.pending=max(0.,self.pending-interval)
if self.phase!='running':self.records[self.operation_id]=self._result()
elif self.powered and self.crystal and self.phase=='idle':
self._observe();self.sample_window=[self.time_s,self.time_s+dt]
if self.baseline is None:self.baseline=self.frequency
self.time_s+=dt;self.revision+=1
class ChChi440cSession:
def __init__(self,host,principal_id):self._host=host;self._principal=principal_id
@property
def _role(self):return self._host._principals[self._principal]
def _target(self,i):
if i!=self._host.instance_id:raise ActionRejected('UNKNOWN_INSTANCE')
def describe(self,*,instance_id=None,asset_type_id=None):
if (instance_id is None)==(asset_type_id is None):raise ActionRejected('INVALID_ARGUMENT')
if instance_id is not None:self._target(instance_id)
if asset_type_id is not None and asset_type_id!=ASSET_TYPE_ID:raise ActionRejected('UNKNOWN_INSTANCE')
m=export_ch_chi440c_contract_metadata();return dict(protocol_version=PROTOCOL_VERSION,asset_type_id=ASSET_TYPE_ID,asset_version='1.0.0',capabilities={k:v for k,v in m['capabilities'].items() if v['visibility']=='agent' or self._role!='agent'},state_slots={k:v for k,v in m['state_slots'].items() if v['visibility']=='agent' or self._role!='agent'})
def read(self,*,instance_id,state_ids=None):
self._target(instance_id);h=self._host;v=h.read(self._role);ids=list(v) if state_ids is None else state_ids
if not isinstance(ids,list) or any(not isinstance(k,str) for k in ids):raise ActionRejected('INVALID_ARGUMENT')
if any(k not in v for k in ids):raise ActionRejected('ACCESS_DENIED')
current=lambda k:k in ['frequency.hz','frequency.true_hz','frequency.delta_hz','mass.inferred_delta_kg','current.a','potential.v']
return dict(status='succeeded',instance_id=instance_id,state_revision=h.revision,clock={'domain':'simulation','time_s':h.time_s},observations={k:dict(value=v[k],unit=SLOTS[k][1],quality='unavailable' if v[k] is None else 'stale' if current(k) and h.phase!='running' else 'estimated' if SLOTS[k][2]=='derived' else 'valid',sample_time_s=h.sample_window[-1] if current(k) and h.sample_window else h.time_s,sample_window_s=copy.deepcopy(h.sample_window) if current(k) else None) for k in ids})
def invoke(self,*,instance_id,capability_id,arguments,request_id):
h=self._host
try:
self._target(instance_id)
if not isinstance(capability_id,str) or capability_id not in CAPS:raise ActionRejected('UNKNOWN_CAPABILITY')
if self._role=='agent' and CAPS[capability_id][5]!='agent':raise ActionRejected('ACCESS_DENIED')
if not isinstance(request_id,str) or not request_id:raise ActionRejected('INVALID_ARGUMENT')
validate(CAPS[capability_id][0],arguments);key=(self._principal,instance_id,request_id);digest=json.dumps([capability_id,arguments],sort_keys=True,allow_nan=False)
if key in h._requests:
old,result=h._requests[key]
if old!=digest:raise ActionRejected('REQUEST_CONFLICT')
return copy.deepcopy(result)
result=h.invoke(capability_id,**arguments);op=result.get('operation_id')
if op:h._owners[op]=self._principal
response=dict(protocol_version=PROTOCOL_VERSION,instance_id=instance_id,request_id=request_id,operation_id=op,status='accepted' if op else 'succeeded',state_revision=h.revision,clock={'domain':'simulation','time_s':h.time_s},result=result,observations={},error=None);h._requests[key]=(digest,copy.deepcopy(response));return response
except ActionRejected as exc:return dict(protocol_version=PROTOCOL_VERSION,instance_id=instance_id,request_id=request_id,operation_id=None,status='unsupported' if str(exc)=='UNSUPPORTED' else 'rejected',state_revision=h.revision,clock={'domain':'simulation','time_s':h.time_s},result={},observations={},error=dict(code=str(exc),message=str(exc),retryable=False,side_effects='none'))
def write(self,*,instance_id,state_id,value,request_id):
self._target(instance_id)
if state_id not in SLOTS or not SLOTS[state_id][5]:raise ActionRejected('ACCESS_DENIED')
cap,arg=SLOTS[state_id][5];return self.invoke(instance_id=instance_id,capability_id=cap,arguments={arg:value},request_id=request_id)
def poll(self,operation_id):
h=self._host
if h._owners.get(operation_id)!=self._principal:raise ActionRejected('ACCESS_DENIED')
record=h.records.get(operation_id)
if operation_id==h.operation_id:record=h._result()
if record is None:raise ActionRejected('UNKNOWN_OPERATION')
return dict(operation_id=operation_id,status=record['phase'],result=copy.deepcopy(record))
def cancel(self,operation_id,request_id):
self.poll(operation_id)
if operation_id!=self._host.operation_id:raise ActionRejected('NOT_RUNNING')
return self.invoke(instance_id=self._host.instance_id,capability_id='acquisition.stop',arguments={},request_id=request_id)
def export_ch_chi440c_contract_metadata():
caps={};slots={}
for k,(s,u,o,v,c,w) in SLOTS.items():slots[k]=dict(meaning_zh=SLOT_ZH[k],component_ids=c,value_schema=copy.deepcopy(s),unit=u,reference_conditions='相对方法显式参比;E0由宿主给定' if u=='V' else None,origin=o,visibility=v,access='read_write' if w else 'read_only',read_binding=dict(backend='host',artifact_id='runtime',accessor=f'ChChi440cSession.read(state_ids=[{k!r}])'),write_via=dict(capability_id=w[0],argument=w[1],fixed_arguments={}) if w else None,sampling=dict(mode='instant',time_domain='simulation',window_description=None),source_ids=['simulation_assumption'])
errors=['INVALID_ARGUMENT','UNKNOWN_INSTANCE','UNKNOWN_CAPABILITY','UNKNOWN_OPERATION','UNSUPPORTED','ACCESS_DENIED','REQUEST_CONFLICT','INITIALIZATION_ONLY','BUSY','UNKNOWN_REFERENCE','NOT_READY','NOT_RUNNING','UNUSED_CONTROL_NONZERO','SAMPLE_GRID','POINT_LIMIT','LOAD_PRECONDITION','CHEMISTRY_UNSUPPORTED','LID_OPEN_REQUIRED','DRAIN_OPEN_REQUIRED','NO_VALID_OBSERVATION','THINFILM_DOMAIN','METHOD_PROCESS_MISMATCH']
for k,(inp,out,c,z,kind,vis,ex,effects) in CAPS.items():
unsupported=k in UNSUPPORTED;asyn=k=='acquisition.start';caps[k]=dict(function_zh=z,kind=kind,visibility=vis,component_ids=c,availability='unsupported' if unsupported else 'implemented',input_schema=copy.deepcopy(inp),output_schema=copy.deepcopy(out),implementation=dict(process='absent' if unsupported else 'implemented',scene='absent',robot='absent',hardware='absent',host='absent' if unsupported else 'implemented'),binding=None if unsupported else dict(backend='host',artifact_id='runtime',entrypoint='asset_runtime.ch_chi440c.ChChi440cSession.invoke',invocation=f'session.invoke(instance_id="eqcm_01",capability_id={k!r},arguments={ex!r},request_id="unique")'),preconditions=[] if kind=='query' or unsupported else [dict(description_zh='类型/身份、晶体薄膜条件、QCM采样≤1kHz、±10V/250mA及盖/有限浴液检查;非原厂互锁',state_ids=['power.enabled','method.configured','sample.loaded','lid.lift_m','acquisition.phase'],enforced_by='runtime',check='atomic Runtime.invoke and trusted Session')],state_effects=[dict(state_id=x,timing='immediate',description_zh='受检事务改变逻辑状态') for x in effects],observes=[],model_effects=dict(mode='none',description_zh='等待独立场景验证',binding_ids=[]),execution=dict(mode='asynchronous' if asyn else 'synchronous',time_domain='simulation',completion_criterion='固定采样格上的全部程序台阶完成' if asyn else '受检事务返回;查询不推进时钟',completion_state_ids=['acquisition.phase'] if asyn else [],timeout_s=None,cancellation='supported' if asyn else 'unsupported',retry='same_request_id',resources=['host_clock','finite_bath','quartz_film','request_cache'],partial_failure_zh='保留已发生质量转移、电荷和部分曲线;请求去重只在当前宿主内'),errors=[dict(code=x,meaning_zh=x,side_effects='none') for x in errors],example_arguments=copy.deepcopy(ex),verification=[],limitations=['教学过程,真实电化学响应、噪声、温漂及频率校准未验证'],source_ids=['manufacturer_primary','simulation_assumption'])
if asyn:caps[k]['state_effects'] += [dict(state_id=x,timing='on_step',description_zh='仅step在采样格推进有限过程和观测') for x in ['frequency.hz','frequency.delta_hz','mass.inferred_delta_kg','current.a','potential.v','acquisition.elapsed_s','acquisition.phase']]
mech=dict(component_ids=['controller','oscillator','quartz_crystal','gold_electrode','sample_cell'],state_ids=list(slots),meaning_zh='有限单组分EQCM过程;由观测频移推断质量;真实物性与工程动力学分开',implementation='lumped',equations=['S=2*f0^2/(A*sqrt(rho*mu)); f=f0-S*mfilm; m_inferred=-(f_observed-f_baseline)/S','CuII/Cu only: dN=I*dt/(2F), clipped by finite dissolved/film amounts; Q=2F*dN','Eeq=E0+RT/(2F)*ln(c/1mol m^-3); E=Eeq-RT/F*asinh(I/(2i0))-I*Rseries; quasi-static symmetric Butler-Volmer surrogate','Adsorption: dx/dt=kon*(Ntotal-x)*(Nsites-x)/V-koff*x; analytic finite-bath Riccati integration','Fixed QCM ticks>=1ms; every segment aligns to sample grid; ≤20000 points implementation limit','Frequency ideal quantization0.05Hz(default); sensor quality invalid outside explicit thinfilm relative-shift bound','Mass ledger: loaded=solution+film+returned+waste; charge ledger Q=F*electron_mol; cleaning transfersfilm to waste'],parameters={},source_ids=['manufacturer_primary','pubchem','copper_nist','simulation_assumption'],limitations=['96 true molar masses, zero measured QCM response arrays;50 experimental curves unmet.','Mass inference is only from observed frequency and supplied crystal sensitivity, no hidden true-film mass reads.','Cu n2 chemistry and reference/i0/resistance supplied; no diffusion layer/double-layer/passivation/side reactions.','Adsorption affinity/site capacity are explicit hypotheses, not validated for all materials.','No viscoelastic/liquid correction, QCM-D or motional resistance, temperature/noise/drift calibration.','Continuous electrical limits±10V,±250mA;350mA peak, general CV and pulse suites unsupported.','Measured thickness/film distribution/crystal stress, screw/contact physics, robot and hardware not_run.'])
spec=importlib.util.spec_from_file_location('_qcm_annotations',ROOT/'scripts/asset_runtime/_annotations.py');ann=importlib.util.module_from_spec(spec);spec.loader.exec_module(ann);ann.KEY_ZH.update(SLOT_ZH);ann.TRUTH_ZH.update(SLOT_ZH);ann.annotate_export(SLUG,caps,slots,{'eqcm_mass':mech},inputs={'crystal.configure':(CRYSTAL,CRYSTAL_EXAMPLE),'method.configure':(METHOD,METHOD_EXAMPLE),'sample.load':(SAMPLE,SAMPLE_EXAMPLE)})
for k,v in slots.items():v['meaning_zh']=SLOT_ZH[k]+';来源='+v['origin']+'。'
for key in ['current.a','potential.v']:slots[key]['sampling']=dict(mode='interval_mean',time_domain='simulation',window_description='最近QCM采样区间平均;Session记录绝对时间窗,停止后stale')
for key in ['frequency.hz','frequency.true_hz','frequency.delta_hz','mass.inferred_delta_kg']:slots[key]['sampling']=dict(mode='instant',time_domain='simulation',window_description='最近采样区间末端观测;Session保留时间窗,不声称区间均值')
return dict(asset_type_id=ASSET_TYPE_ID,catalog_id=CATALOG_ID,capabilities=caps,state_slots=slots,mechanisms={'eqcm_mass':mech})
|