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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 | """CHEM-104 SECM: finite effective redox and charge ledgers, time-driven XYZ and observed-current kinetics.
Trusted Python host only. Sessions filter identity/truth; process/file isolation is external.
"""
from pathlib import Path
import copy,math,json,importlib.util
PROTOCOL_VERSION='1.0.0';SLUG='ch_chi920d';CATALOG_ID='CHEM-104';ASSET_TYPE_ID='instrument.'+SLUG
ROOT=Path(__file__).resolve().parents[2];TEMPLATE_REL='assets/expansion_batch04/t4_measure/'+SLUG+'/diffusion_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
PLANT=obj({'tip_radius_m':number('m',1e-8,1e-4),'travel_speed_m_s':number('m/s',1e-8,.02),'current_range_a':number('A',1e-11,.25),'temperature_k':number('K',298.15,298.15),'fine_enabled':BOOL,'accept_feedback_surrogate':BOOL})
PLANT_EXAMPLE=dict(tip_radius_m=5e-6,travel_speed_m_s=.002,current_range_a=1e-6,temperature_k=298.15,fine_enabled=True,accept_feedback_surrogate=True)
XYZ=obj({'x_m':number('m',-.025,.025),'y_m':number('m',-.025,.025),'z_m':number('m',0,.05)})
METHOD=obj({'mode':enum(['constant_height','approach']),'path':dict(arr(XYZ),minItems=1,maxItems=2048),'dwell_s':number('s',.001,600),'tip_potential_v':number('V',-10,10),'substrate_potential_v':number('V',-10,10),'reference_electrode':TEXT,'min_gap_m':number('m',1e-9,.01)})
METHOD_EXAMPLE=dict(mode='constant_height',path=[dict(x_m=(-2+i if j%2==0 else 2-i)*20e-6,y_m=(-2+j)*20e-6,z_m=5e-6) for j in range(5) for i in range(5)],dwell_s=.3,tip_potential_v=-.2,substrate_potential_v=.2,reference_electrode='explicit synthetic reference; E0=0',min_gap_m=5e-7)
SAMPLE=obj({'sample_id':TEXT,'substance_id':TEXT,'volume_m3':number('m^3',1e-12,1e-3),'concentration_mol_m3':number('mol/m^3',1e-9,1e5),'oxidized_fraction':number('1',0,1),'electrons':dict(number('1',1,10),type='integer'),'formal_potential_v':number('V',-10,10),'surface_z_m':number('m',0,.005),'footprint_radius_m':number('m',1e-5,.025),'base_rate_m_s':number('m/s',0,1),'patch_rate_m_s':number('m/s',0,1),'patch_x_m':number('m',-.025,.025),'patch_y_m':number('m',-.025,.025),'patch_sigma_m':number('m',1e-8,.025),'accept_effective_redox':BOOL})
SAMPLE_EXAMPLE=dict(sample_id='synthetic_surface',substance_id='o2_neutral',volume_m3=1e-6,concentration_mol_m3=1.,oxidized_fraction=1.,electrons=4,formal_potential_v=0.,surface_z_m=0.,footprint_radius_m=.01,base_rate_m_s=1e-6,patch_rate_m_s=1e-3,patch_x_m=0.,patch_y_m=0.,patch_sigma_m=20e-6,accept_effective_redox=True)
POINT=obj({'time_s':number('s',0),'window_s':number('s',0),'x_m':number('m'),'y_m':number('m'),'z_m':number('m'),'tip_current_a':number('A'),'substrate_current_a':number('A')})
RESULT=obj({'phase':PHASE,'complete':BOOL,'points':arr(POINT),'elapsed_s':number('s',0),'template_source':TEXT,'evidence':TEXT,'warnings':arr(TEXT)})
LEDGER=obj({'oxidized_mol':number('mol',0),'reduced_mol':number('mol',0),'loaded_mol':number('mol',0),'returned_mol':number('mol',0),'tip_charge_c':number('C',0),'substrate_charge_c':number('C',None,0),'total_residual_mol':number('mol'),'charge_residual_c':number('C'),'sample_id':TEXT})
KIN=obj({'diffusion_m2_s':number('m^2/s',1e-12,1e-7),'tip_radius_m':number('m',1e-8,1e-4),'substrate_plane_z_m':number('m',0,.005),'substrate_activation':number('1',1e-6,1)})
KIN_EXAMPLE=dict(diffusion_m2_s=2.35e-09,tip_radius_m=5e-6,substrate_plane_z_m=0.,substrate_activation=1/(1+math.exp(-4*F*.2/(R*T))))
CAPS={};UNSUPPORTED={'feedback.constant_current','impedance.acquire','voltammetry.full_suite','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('plant.configure',PLANT,obj({'configured':BOOL}),['probe_tip','positioner'],'显式设置针径、速度、量程和反馈工程代理','configuration','evaluator',PLANT_EXAMPLE,['plant.configured'])
cap('method.configure',METHOD,obj({'configured':BOOL}),['positioner','bipotentiostat'],'设置固定高度栅格/接近路径及双通道电位参考','configuration','agent',METHOD_EXAMPLE,['method.configured','tip.target_v','substrate.target_v'])
cap('sample.load',SAMPLE,obj({'loaded':BOOL}),['sample_cell','substrate'],'宿主放置有限O/R有效介体与私有基底反应图','configuration','evaluator',SAMPLE_EXAMPLE,['sample.loaded','sample.identity'])
cap('sample.unload',obj({}),obj({'returned_mol':number('mol',0)}),['sample_cell'],'抬起探针后归还池内剩余O/R,不回滚已流电荷','device_command','evaluator',effects=['sample.loaded','sample.identity'])
cap('power.set',obj({'enabled':BOOL}),obj({'enabled':BOOL}),['bipotentiostat','motor_controller'],'逻辑供电;断电取消采集和移动目标',ex={'enabled':True},effects=['power.enabled','acquisition.phase'])
cap('stage.move',XYZ,XYZ,['stage_x','stage_y','stage_z'],'设置三轴量化目标;只有step推进实际位置',ex={'x_m':0.,'y_m':0.,'z_m':.005},effects=['stage.target_x_m','stage.target_y_m','stage.target_z_m'])
cap('acquisition.start',obj({}),obj({'phase':PHASE,'operation_id':TEXT}),['probe_tip','substrate','positioner'],'按路径移动、停留和采样;有限氧化还原/电荷过程',effects=['acquisition.phase','acquisition.elapsed_s','acquisition.completed_points'])
cap('acquisition.stop',obj({}),obj({'phase':PHASE}),['probe_tip','positioner'],'停止目标与电流;保留位置、部分曲线及已反应物质/电荷',effects=['acquisition.phase','positioner.moving'])
cap('process.measure',obj({}),RESULT,['probe_tip','substrate'],'读取观测双通道电流图/接近曲线;不返回私有反应速率图','query')
cap('kinetics.estimate',KIN,obj({'rate_m_s':arr(nullable(number('m/s',0))),'quality':TEXT,'evidence':TEXT}),['probe_tip','substrate'],'从两个观测电流之比反演工程反馈模型的局部有效反应速率','analysis','agent',KIN_EXAMPLE)
cap('template.read',obj({'substance_id':TEXT}),obj({'substance_id':TEXT,'diffusion_m2_s':number('m^2/s',0),'temperature_k':number('K'),'template_source':TEXT,'evidence':TEXT}),['probe_tip'],'公开水相扩散系数;不保证物种电活性','query',ex={'substance_id':'o2_neutral'})
cap('ledger.read',obj({}),LEDGER,['sample_cell','probe_tip','substrate'],'有限O/R摩尔数与双通道电荷守恒账本','query','evaluator')
for k in UNSUPPORTED:cap(k,obj({}),obj({}),['bipotentiostat'],'当前子集未实现,不返回假结果')
SLOTS={};SLOT_ZH={}
def slot(k,s,u,z,o='derived',v='agent',c='bipotentiostat',w=None):SLOTS[k]=(s,u,o,v,[c],w);SLOT_ZH[k]=z
slot('plant.configured',BOOL,'1','工程过程参数已配置','setpoint');slot('method.configured',BOOL,'1','扫描方法已配置','setpoint');slot('power.enabled',BOOL,'1','逻辑电源目标','setpoint',w=('power.set','enabled'))
for name,lo,hi in [('x',-.025,.025),('y',-.025,.025),('z',0,.05)]:
slot('stage.'+name+'_m',number('m',lo,hi),'m','组合轴实际位置,+X右/+Y后/+Z远离基底;相对台面内样品零面','scene',c='stage_'+name)
slot('stage.target_'+name+'_m',number('m',lo,hi),'m','量化后的轴目标;未立即到位','setpoint',c='stage_'+name)
slot('stage.coarse_'+name+'_m',number('m'),'m','8nm量化粗轴分量','scene',c='stage_'+name)
slot('stage.fine_'+name+'_m',number('m'),'m','1.6nm细轴组合残差;不是50mm单独压电行程','scene',c='stage_'+name)
slot('positioner.moving',BOOL,'1','轴尚未到目标',c='positioner');slot('positioner.resolution_m',number('m'),'m','配置的组合命令分辨率;不等同定位精度','setpoint',c='positioner')
for n,c in [('tip','probe_tip'),('substrate','substrate')]:
slot(n+'.target_v',nullable(number('V',-10,10)),'V','相对方法指定参考电极的设定电位','setpoint',c=c)
slot(n+'.true_current_a',nullable(number('A')),'A','最近推进区间的模型电流真值','process_truth','evaluator',c)
slot(n+'.current_a',nullable(number('A')),'A','理想量化的最近区间平均电流观测,未标定噪声',c=c)
slot('sample.loaded',BOOL,'1','有限电解液池已装入',c='sample_cell');slot('sample.identity',TEXT,'1','样品身份','process_truth','evaluator','sample_cell');slot('acquisition.phase',PHASE,'1','扫描异步任务状态');slot('acquisition.elapsed_s',number('s',0),'s','包含移动与停留的采集经过时间');slot('acquisition.completed_points',dict(number('1',0),type='integer'),'1','已完成采样点数');slot('acquisition.failure',TEXT,'1','无私有真值的失败代码')
def feedback(L):return L/(L+1.),1.+math.pi/(4.*L)
def logistic(x):return 1/(1+math.exp(-max(-700.,min(700.,x))))
class ChChi920dRuntime:
def __init__(self,instance_id='secm_01'):
self.instance_id=instance_id;self.time_s=0.;self.revision=0;self.powered=False;self.plant=None;self.method=None;self.sample=None;self.q=[0.,0.,.005];self.target=self.q[:];self.phase='idle';self.elapsed=0.;self.points=[];self.point_index=0;self.dwell=0.;self.dwell_tip=0.;self.dwell_sub=0.;self.oxidized=0.;self.reduced=0.;self.loaded=0.;self.returned=0.;self.tip_charge=0.;self.sub_charge=0.;self.electron_mol=0.;self.currents=[None,None];self.indicated=[None,None];self.failure='';self.sample_window=None;self.serial=0;self.operation_id=None;self.records={};self.templates=json.loads((ROOT/TEMPLATE_REL).read_text())['substances'];self._principals={};self._requests={};self._owners={}
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 ChChi920dSession(self,principal_id)
def describe(self):return export_ch_chi920d_contract_metadata()
def read(self,visibility='agent'):
m=self.method or {};d={'plant.configured':self.plant is not None,'method.configured':self.method is not None,'power.enabled':self.powered,'sample.loaded':self.sample is not None,'sample.identity':self.sample['sample_id'] if self.sample else '','positioner.moving':math.dist(self.q,self.target)>1e-12,'positioner.resolution_m':1.6e-9 if self.plant and self.plant['fine_enabled'] else 8e-9,'acquisition.phase':self.phase,'acquisition.elapsed_s':self.elapsed,'acquisition.completed_points':len(self.points),'acquisition.failure':self.failure}
for i,n in enumerate(['x','y','z']):coarse=round(self.q[i]/8e-9)*8e-9;d.update({'stage.'+n+'_m':self.q[i],'stage.target_'+n+'_m':self.target[i],'stage.coarse_'+n+'_m':coarse,'stage.fine_'+n+'_m':self.q[i]-coarse})
for i,n in enumerate(['tip','substrate']):d.update({n+'.target_v':m.get(n+'_potential_v'),n+'.true_current_a':self.currents[i],n+'.current_a':self.indicated[i]})
return copy.deepcopy({k:v for k,v in d.items() if visibility!='agent' or SLOTS[k][3]=='agent'})
def _ledger(self):return dict(oxidized_mol=self.oxidized,reduced_mol=self.reduced,loaded_mol=self.loaded,returned_mol=self.returned,tip_charge_c=self.tip_charge,substrate_charge_c=self.sub_charge,total_residual_mol=self.loaded-self.returned-self.oxidized-self.reduced,charge_residual_c=self.tip_charge+self.sub_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',points=copy.deepcopy(self.points),elapsed_s=self.elapsed,template_source='USGS PHREEQC298.15K diffusivity; identity withheld',evidence='derived public diffusion; synthetic quasi-steady feedback and effective redox response',warnings=['Dimensions and mass unknown; geometry is illustrative','59 diffusion records do not imply59 validated redox mediators','Engineering feedback functions, not a calibrated SECM boundary-value solver','No experimental current/noise/kinetic calibration; external reference electrode required'])
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:
result=self._invoke(k,a);validate(CAPS[k][1],result)
if CAPS[k][4] not in ['query','analysis']:self.revision+=1
return result
except Exception:self.__dict__.clear();self.__dict__.update(before);raise
def _quantize(self,q):
res=1.6e-9 if self.plant['fine_enabled'] else 8e-9;return [max(lo,min(hi,round(v/res)*res)) for v,lo,hi in zip(q,[-.025,-.025,0.],[.025,.025,.05])]
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'],diffusion_m2_s=t['diffusion_m2_s'],temperature_k=298.15,template_source=t['source']['url']+' line '+str(t['source']['line']),evidence='derived_database; no electroactivity claim')
if k=='kinetics.estimate':
result=[]
for p in self.points:
L=(p['z_m']-a['substrate_plane_z_m'])/a['tip_radius_m'];it=p['tip_current_a'];isub=p['substrate_current_a'];val=None
if L>0 and it>0 and 0<=-isub/it<1:
negative,positive=feedback(L);r=-isub/it;rho=r*negative/((1-r)*(positive-negative))
if 0<=rho<a['substrate_activation']:val=a['diffusion_m2_s']/a['tip_radius_m']*rho/(a['substrate_activation']-rho)
result.append(val)
return dict(rate_m_s=result,quality='estimated_surrogate' if result and all(v is not None for v in result) else 'unidentifiable',evidence='only recorded dual-current ratio, supplied geometry/D/activation and engineering inverse; no private k-map reads')
if k=='plant.configure':
if self.plant or self.sample or self.powered or not a['accept_feedback_surrogate']:raise ActionRejected('INITIALIZATION_ONLY')
self.plant=copy.deepcopy(a);return {'configured':True}
if k=='acquisition.stop':
if self.phase!='running':raise ActionRejected('NOT_RUNNING')
self.phase='cancelled';self.target=self.q[:];self.records[self.operation_id]=self._result();return {'phase':self.phase}
if k=='power.set':
self.powered=a['enabled']
if not self.powered:
self.target=self.q[:]
if self.phase=='running':self.phase='cancelled';self.records[self.operation_id]=self._result()
return a
if self.phase=='running':raise ActionRejected('BUSY')
if k=='method.configure':
if not self.plant:raise ActionRejected('PRECONDITION_FAILED')
xyz=[[p[n+'_m'] for n in ['x','y','z']] for p in a['path']]
if a['mode']=='constant_height' and max(q[2] for q in xyz)-min(q[2] for q in xyz)>1e-12:raise ActionRejected('PATH_MODE')
if a['mode']=='approach' and (any(q[:2]!=xyz[0][:2] for q in xyz) or any(b[2]>c[2] for c,b in zip(xyz,xyz[1:]))):raise ActionRejected('PATH_MODE')
self.method=copy.deepcopy(a);self.method['path']=[dict(zip(['x_m','y_m','z_m'],self._quantize(q))) for q in xyz];return {'configured':True}
if k=='stage.move':
if not self.plant or not self.powered:raise ActionRejected('NOT_READY')
q=self._quantize([a[n+'_m'] for n in ['x','y','z']])
if self.sample and q[2]-self.sample['surface_z_m']<max(1e-9,.1*self.plant['tip_radius_m']):raise ActionRejected('COLLISION_GUARD')
self.target=q;return dict(zip(['x_m','y_m','z_m'],q))
if k=='sample.load':
if not self.plant or self.sample or self.q[2]-a['surface_z_m']<.001 or not a['accept_effective_redox']:raise ActionRejected('SAMPLE_INVALID')
if a['substance_id'] not in self.templates:raise ActionRejected('UNKNOWN_REFERENCE')
self.sample=copy.deepcopy(a);n=a['volume_m3']*a['concentration_mol_m3'];self.oxidized=n*a['oxidized_fraction'];self.reduced=n-self.oxidized;self.loaded+=n;return {'loaded':True}
if k=='sample.unload':
if not self.sample or self.q[2]-self.sample['surface_z_m']<.001:raise ActionRejected('RETRACT_REQUIRED')
n=self.oxidized+self.reduced;self.returned+=n;self.oxidized=0.;self.reduced=0.;self.sample=None;return {'returned_mol':n}
if k=='acquisition.start':
if not self.plant or not self.method or not self.sample or not self.powered or math.dist(self.q,self.target)>1e-12:raise ActionRejected('NOT_READY')
D=self.templates[self.sample['substance_id']]['diffusion_m2_s']
if self.method['dwell_s']<5*self.plant['tip_radius_m']**2/D:raise ActionRejected('STEADY_STATE_DWELL')
if any(p['z_m']-self.sample['surface_z_m']<max(self.method['min_gap_m'],.1*self.plant['tip_radius_m']) or math.hypot(p['x_m'],p['y_m'])>self.sample['footprint_radius_m'] for p in self.method['path']):raise ActionRejected('COLLISION_GUARD')
self.serial+=1;self.operation_id=f'{self.instance_id}:op:{self.serial}';self.phase='running';self.elapsed=0.;self.points=[];self.point_index=0;self.dwell=0.;self.dwell_tip=0.;self.dwell_sub=0.;self.failure='';self.target=[self.method['path'][0][n+'_m'] for n in ['x','y','z']];return dict(phase=self.phase,operation_id=self.operation_id)
raise ActionRejected('UNKNOWN_CAPABILITY')
def _reaction(self,dt):
p=self.plant;s=self.sample;m=self.method;D=self.templates[s['substance_id']]['diffusion_m2_s'];radius=p['tip_radius_m'];n=s['electrons'];L=(self.q[2]-s['surface_z_m'])/radius;neg,pos=feedback(L);k=s['base_rate_m_s']+s['patch_rate_m_s']*math.exp(-((self.q[0]-s['patch_x_m'])**2+(self.q[1]-s['patch_y_m'])**2)/(2*s['patch_sigma_m']**2));activation=logistic(n*F*(m['substrate_potential_v']-s['formal_potential_v'])/(R*T));rho=k*radius/D/(1+k*radius/D)*activation;direct=4*D*radius*neg*logistic(n*F*(s['formal_potential_v']-m['tip_potential_v'])/(R*T))/s['volume_m3'];ratio=rho*(pos-neg)/neg;initial=direct*self.oxidized*n*F
if initial*(1+2*ratio)>.25 or initial*(1+ratio)>p['current_range_a']:
self.failure='CURRENT_LIMIT';self.phase='failed';self.target=self.q[:];return
converted=self.oxidized*(-math.expm1(-direct*dt));self.oxidized-=converted;self.reduced+=converted;cycle=converted*ratio;qt=n*F*(converted+cycle);qs=-n*F*cycle;self.tip_charge+=qt;self.sub_charge+=qs;self.electron_mol+=n*converted;self.dwell_tip+=qt;self.dwell_sub+=qs;self.currents=[qt/dt,qs/dt];quant=max(.3e-15,p['current_range_a']*.000015);self.indicated=[round(i/quant)*quant for i in self.currents]
def step(self,dt_s):
validate(number('s',0,10000),dt_s)
if dt_s==0:return self.read()
dt=float(dt_s);self.time_s+=dt;self.revision+=1;remain=dt
while remain>1e-12 and self.powered and self.plant:
distance=math.dist(self.q,self.target)
if distance>1e-12:
used=min(remain,distance/self.plant['travel_speed_m_s']);fraction=min(1.,used*self.plant['travel_speed_m_s']/distance);self.q=self.target[:] if fraction>=1-1e-12 else [a+(b-a)*fraction for a,b in zip(self.q,self.target)];remain-=used
if self.phase=='running':self.elapsed+=used
if used<=0:break
elif self.phase=='running':
used=min(remain,max(0.,self.method['dwell_s']-self.dwell))
if used>0:
self._reaction(used)
if self.phase!='failed':self.sample_window=[self.time_s-remain,self.time_s-remain+used]
remain-=used;self.elapsed+=used;self.dwell+=used
if self.phase=='failed':self.records[self.operation_id]=self._result();break
if self.dwell>=self.method['dwell_s']-1e-10:
quant=max(.3e-15,self.plant['current_range_a']*.000015);self.points.append(dict(time_s=self.elapsed,window_s=self.dwell,x_m=self.q[0],y_m=self.q[1],z_m=self.q[2],tip_current_a=round((self.dwell_tip/self.dwell)/quant)*quant,substrate_current_a=round((self.dwell_sub/self.dwell)/quant)*quant));self.point_index+=1;self.dwell=0.;self.dwell_tip=0.;self.dwell_sub=0.
if self.point_index==len(self.method['path']):self.phase='succeeded';self.records[self.operation_id]=self._result();break
self.target=[self.method['path'][self.point_index][n+'_m'] for n in ['x','y','z']]
else:break
return self.read()
class ChChi920dSession:
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_chi920d_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 ['tip.current_a','substrate.current_a','tip.true_current_a','substrate.true_current_a']
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_chi920d_contract_metadata():
caps={};slots={}
for k,(s,u,o,v,c,w) in SLOTS.items():
ref='相对method.reference_electrode;不是默认SHE' if u=='V' else None
slots[k]=dict(meaning_zh=SLOT_ZH[k],component_ids=c,value_schema=copy.deepcopy(s),unit=u,reference_conditions=ref,origin=o,visibility=v,access='read_write' if w else 'read_only',read_binding=dict(backend='host',artifact_id='runtime',accessor=f'ChChi920dSession.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'])
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_chi920d.ChChi920dSession.invoke',invocation=f'session.invoke(instance_id="secm_01",capability_id={k!r},arguments={ex!r},request_id="unique")'),preconditions=[] if kind in ['query','analysis'] or unsupported else [dict(description_zh='类型/身份、双通道电压限值、路径/最低间隙/稳态停留与忙碌检查;非原厂安全互锁',state_ids=['power.enabled','method.configured','sample.loaded','positioner.moving','acquisition.phase'],enforced_by='runtime',check='atomic Runtime.invoke plus trusted-principal Session')],state_effects=[dict(state_id=x,timing='immediate',description_zh='受检事务目标/逻辑状态变化') for x in effects],observes=[],model_effects=dict(mode='none',description_zh='等待独立实际场景求值;数值过程不自动证明模型联动',binding_ids=[]),execution=dict(mode='asynchronous' if asyn else 'synchronous',time_domain='simulation',completion_criterion='路径所有停留点采集完成;部分电荷和O/R反应保留' if asyn else '受检事务返回;read/describe/poll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_redox_cell','positioner','request_cache'],partial_failure_zh='已移动位置/已反应物质/电荷保留,取消不回滚;仅进程内请求去重'),errors=[dict(code=x,meaning_zh=x,side_effects='none') for x in ['INVALID_ARGUMENT','UNKNOWN_INSTANCE','UNKNOWN_CAPABILITY','UNKNOWN_OPERATION','UNSUPPORTED','ACCESS_DENIED','REQUEST_CONFLICT','PRECONDITION_FAILED','INITIALIZATION_ONLY','BUSY','UNKNOWN_REFERENCE','NOT_READY','NOT_RUNNING','PATH_MODE','SAMPLE_INVALID','COLLISION_GUARD','RETRACT_REQUIRED','STEADY_STATE_DWELL']],example_arguments=copy.deepcopy(ex),verification=[],limitations=['教学过程;电极化学、反馈曲线、精度/噪声和真实动力学未校准'],source_ids=['manufacturer_primary','simulation_assumption'])
if asyn:caps[k]['state_effects'] += [dict(state_id=x,timing='on_step',description_zh='唯一由宿主step推进') for x in ['acquisition.elapsed_s','tip.current_a','substrate.current_a','stage.x_m','stage.y_m','stage.z_m','acquisition.phase']]
mech=dict(component_ids=['probe_tip','substrate','sample_cell','positioner','bipotentiostat'],state_ids=list(slots),meaning_zh='有限有效O/R介体与准稳态SECM反馈工程代理;电荷/物质守恒,图像从观测电流生成',implementation='lumped',equations=['Far-field microdisk transport current i_inf=4*n*F*D*c*a; D from public USGS data at298.15K','Engineering feedback: f_neg=L/(L+1); f_pos=1+pi/(4L), L=gap/a; not exact SECM boundary-value theory','rho=(k*a/D)/(1+k*a/D)*sigmoid(nF(E_sub-E0)/(RT)); direct reduction activation=sigmoid(nF(E0-E_tip)/(RT))','dN=O*(1-exp(-4*D*a*f_neg*activation*dt/V)); Onew=O-dN; Rnew=R+dN','Ncycle=dN*rho*(f_pos-f_neg)/f_neg; Qtip=nF(dN+Ncycle), Qsub=-nF*Ncycle; total charge=nF*dN','Current true values integrate finite reaction, then quantize at max(0.3fA,range*0.0015%); ideal ADC, not calibrated accuracy','If abs(Itip)+abs(Isub)>250mA or tip exceeds configured range: fail before reaction; no350mA peak capability claimed','k inversion uses observed r=-Isub/Itip, rho=r*fneg/((1-r)*(fpos-fneg)), k=(D/a)*rho/(activation-rho)','50mm combined axes;8nm coarse and1.6nm residual command representation, explicit finite travel speed; no implicit query time advance'],parameters={},source_ids=['manufacturer_primary','usgs_diffusion','simulation_assumption'],limitations=['59 real diffusion parameters, no measured SECM curve library; not59 electroactive mediators.','n/formal potential/current-reference and spatial k-map explicitly supplied as effective assumptions.','Only298.15K ideal-dilute chemistry; no migration/convection/adsorption/double layer/noise/full3D diffusion.','Coarse/fine command granularity not a claim of measured positional accuracy or a50mm piezo stroke.','Two-current sign convention reduction tip positive, regeneration substrate negative; not inferred hardware cable sign.','Detector values quantized; kinetics inverse can be unidentifiable at rounded-zero current or physical bounds.','Geometry envelope and mass unknown; all enclosure dimensions are illustrative engineering design.','Robot, hardware, constant-current PID, impedance and full electrochemical-suite modes unsupported/not_run.'])
spec=importlib.util.spec_from_file_location('_secm_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,{'secm_feedback':mech},inputs={'plant.configure':(PLANT,PLANT_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 ['tip.current_a','substrate.current_a','tip.true_current_a','substrate.true_current_a']:slots[key]['sampling']=dict(mode='interval_mean',time_domain='simulation',window_description='最近真正反应推进区间;Session保留绝对采样时间窗,停止后stale')
caps['stage.move']['state_effects'] += [dict(state_id='stage.'+n+'_m',timing='on_step',description_zh='step按有限速度推进实际三轴') for n in ['x','y','z']]
return dict(asset_type_id=ASSET_TYPE_ID,catalog_id=CATALOG_ID,capabilities=caps,state_slots=slots,mechanisms={'secm_feedback':mech})
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