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authorJohannes Ranke <jranke@uni-bremen.de>2017-01-30 18:04:53 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2017-01-30 18:04:53 +0100
commit03bda75d343402dad99df2aad55611e11279b833 (patch)
tree5801b2facfa7c731ad35b7378d6b2b72dee66d5c /inst/testdata
parent39d202b0a0f833c756bc98fb4961483de1b15353 (diff)
Correct psm file in the example with metabolites
Diffstat (limited to 'inst/testdata')
-rw-r--r--inst/testdata/Pesticide_D.psm68
-rw-r--r--inst/testdata/Pesticide_D_1_May_every_other_year_mets.psm336
-rw-r--r--inst/testdata/Pesticide_D_1_day_pre_em_every_third_year.psm64
3 files changed, 468 insertions, 0 deletions
diff --git a/inst/testdata/Pesticide_D.psm b/inst/testdata/Pesticide_D.psm
new file mode 100644
index 0000000..8204f3c
--- /dev/null
+++ b/inst/testdata/Pesticide_D.psm
@@ -0,0 +1,68 @@
+<COMMENT>
+Pesticide D, 1 day before emergence <FOCUS DUMMY D>
+<END COMMENT>
+<NUMBER OF SOIL HORIZONS>
+ 0
+<END NUMBER OF SOIL HORIZONS>
+<APPLICATION>
+ 1 0 9 <number of locations absolute app/relative app>
+026 <number of application location>
+-01 00 01 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 02 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 03 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 04 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 05 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 06 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 07 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 08 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 09 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 10 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 11 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 12 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 13 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 14 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 15 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 16 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 17 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 18 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 19 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 20 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 21 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 22 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 23 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 24 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 25 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 26 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+ 1 <pesticide appl. flag: 1=soil 2 =linear 3=exp. foliar 4=manually
+<END APPLICATION>
+<FLAGS>
+ 1 1 <henry(0=direct 1=calc.) kd_flag(0=direct 1=calc.)>
+<END FLAGS>
+<VOLATILIZATION>
+<henry solub. molmass vap.press diff air depth volat. Hv Temperature>
+ 3.33E-04 90 300 1.00E-04 0.0498 0.1 98400 20
+ 6.67E-10 180 300 4.00E-04 0.0498 0.1 98400 30
+<END VOLATILIZATION>
+<PLANT UPTAKE>
+ 0.5 <plant uptake factor
+<END PLANT UPTAKE>
+<DEGRADATION>
+<degrate degtemp q10 moist-abs moist-rel moist-exp rel deg neq sites
+ 0.00E+00 0 0 0 0 0 0 <Met A1>
+ 0.00E+00 20 2 19 0 0 0 <Met B1>
+ 0.00E+00 20 2 19 0 0 0 <Met C1>
+ 0.00E+00 20 2 19 0 0 0 <Met D1>
+ 0.0346570 20 2.2 0 100 0.7 0 <BR/CO2>
+ 0 <0 = degradation according to degradation factors, 1 = constant with depth,2 individual,3 = degradation according to degradation factors, 4 = constant with depth,5 individual, >2 deg in liquid phase only)
+<PHOTODEGRADATION>
+<rate 1/n> <I_Ref W/mē>
+ 0 500 0 0 0 0 0 0 0 0
+<END DEGRADATION>
+<ADSORPTION>
+<Koc-value Fr.exp.Koc pH pKa limit for Freundl. ann.incr.> <k_doc> <% change> KOC2 pH2 f_neq kdes>
+ 60 0.9 -99 20 0 0 0 1 -99 -99 0 0
+<END ADSORPTION>
+<DEPTH DEPENDENT SORPTION AND TRANSFORMATION VALUES>
+<Kd Fr.exp. Met A1 Met B1 Met C1 Met D1 BR/CO2 >
+<END DEPTH DEPENDENT>
+<END PSM>
diff --git a/inst/testdata/Pesticide_D_1_May_every_other_year_mets.psm b/inst/testdata/Pesticide_D_1_May_every_other_year_mets.psm
new file mode 100644
index 0000000..cf91533
--- /dev/null
+++ b/inst/testdata/Pesticide_D_1_May_every_other_year_mets.psm
@@ -0,0 +1,336 @@
+<COMMENT>
+Pesticide D, 1 May C H every other year <FOCUS DUMMY D>
+<END COMMENT>
+<NUMBER OF SOIL HORIZONS>
+ 0
+<END NUMBER OF SOIL HORIZONS>
+<APPLICATION>
+ 10 0 0 <number of locations absolute app/relative app>
+022 <number of application location>
+01 01 01 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 02 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 03 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 04 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 05 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 06 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 07 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 08 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 09 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 10 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 11 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 12 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 13 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 14 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 15 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 01 16 0 0 0 0 0 <day month year app_rate app_depth frpex time>
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+01 01 22 0 0 0 0 0 <day month year app_rate app_depth frpex time>
+023 C <number of application location>
+01 05 01 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 05 03 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+01 05 05 1 0 0 0 0 <day month year app_rate app_depth frpex time>
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+023 H <number of application location>
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+01 05 45 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+023 J <number of application location>
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+023 K <number of application location>
+01 05 01 1 0 0 0 0 <day month year app_rate app_depth frpex time>
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+023 N <number of application location>
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+023 P <number of application location>
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+023 O <number of application location>
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+023 T <number of application location>
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+01 05 45 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+ 1 <pesticide appl. flag: 1=soil 2 =linear 3=exp. foliar 4=manually
+<END APPLICATION>
+<FLAGS>
+ 1 1 <henry(0=direct 1=calc.) kd_flag(0=direct 1=calc.)>
+<END FLAGS>
+<VOLATILIZATION>
+<henry solub. molmass vap.press diff air depth volat. Hv Temperature>
+ 3.33E-04 90 300 1.00E-04 0.0498 0.1 98400 20
+ 6.67E-10 180 300 4.00E-04 0.0498 0.1 98400 30
+<END VOLATILIZATION>
+<PLANT UPTAKE>
+ 0.5 <plant uptake factor
+<END PLANT UPTAKE>
+<DEGRADATION>
+<degrate degtemp q10 moist-abs moist-rel moist-exp rel deg neq sites
+ 0.0277260 20 2.2 0 100 0.7 0 <Met A1>
+ 0.0069310 20 2.2 0 100 0.7 0 <Met B1>
+ 0.00E+00 20 2 19 0 0 0 <Met C1>
+ 0.00E+00 20 2 19 0 0 0 <Met D1>
+ 0.00E+00 20 2.2 0 100 0.7 0 <BR/CO2>
+ 0 <0 = degradation according to degradation factors, 1 = constant with depth,2 individual,3 = degradation according to degradation factors, 4 = constant with depth,5 individual, >2 deg in liquid phase only)
+<PHOTODEGRADATION>
+<rate 1/n> <I_Ref W/mē>
+ 0 500 0 0 0 0 0 0 0 0
+<END DEGRADATION>
+<ADSORPTION>
+<Koc-value Fr.exp.Koc pH pKa limit for Freundl. ann.incr.> <k_doc> <% change> KOC2 pH2 f_neq kdes>
+ 60 0.9 -99 20 0 0 0 1 -99 -99 0 0
+<END ADSORPTION>
+<DEPTH DEPENDENT SORPTION AND TRANSFORMATION VALUES>
+<Kd Fr.exp. Met A1 Met B1 Met C1 Met D1 BR/CO2 >
+<END DEPTH DEPENDENT>
+###############################################
+<COMMENT>
+METABOLITE A1 M1
+<END COMMENT>
+<FLAGS>
+ 1 <kd_flag(0=direct 1=calc.)>
+<END FLAGS>
+<MOLMASS>
+ 200
+<END MOLMASS>
+<PLANT UPTAKE>
+ 0 <plant uptake factor>
+<END PLANT UPTAKE>
+<DEGRADATION>
+<degrate degtemp q10 moist-abs moist-rel moist-exp <rel deg in neq sites>
+ 0.00E+00 20 2.58 0 100 0.7 0 <Met B1>
+ 0.00E+00 20 2.58 0 100 0.7 0 <Met A2>
+ 0.00E+00 20 2.58 0 100 0.7 0 <Met B2>
+ 0.0023100 20 2.2 0 100 0.7 0 <BR/CO2>
+ 0 <0 = degradation according to degradation factors, 1 = constant with depth,2 individual,3 = degradation according to degradation factors, 4 = constant with depth,5 individual, >2 deg in liquid phase only)
+<END DEGRADATION>
+<ADSORPTION>
+<Koc-value Fr.exp.Koc pH pKa limit for Freundl. ann.incr.> <k_doc> <% change> KOC2 pH2 f_neq kdes>
+10 0.9 -99 20 0.01 0 0 1 -99 -99 0 0
+<END ADSORPTION>
+<DEPTH DEPENDENT SORPTION AND TRANSFORMATION VALUES>
+<Kd Fr.exp. Met B1 Met A2 Met B2 BR/CO2 >
+<END DEPTH DEPENDENT>
+###############################################
+<COMMENT>
+METABOLITE B1 M2
+<END COMMENT>
+<FLAGS>
+ 1 <kd_flag(0=direct 1=calc.)>
+<END FLAGS>
+<MOLMASS>
+ 200
+<END MOLMASS>
+<PLANT UPTAKE>
+ 0 <plant uptake factor>
+<END PLANT UPTAKE>
+<DEGRADATION>
+<degrate degtemp q10 moist-abs moist-rel moist-exp <rel deg in neq sites>
+ 0.00E+00 20 2.58 0 100 0.7 0 <Met C1>
+ 0.00E+00 20 2.58 0 100 0.7 0 <Met B2>
+ 0.00E+00 20 2.58 0 100 0.7 0 <Met C2>
+ 0.0693150 20 2.2 0 100 0.7 0 <BR/CO2>
+ 0 <0 = degradation according to degradation factors, 1 = constant with depth,2 individual,3 = degradation according to degradation factors, 4 = constant with depth,5 individual, >2 deg in liquid phase only)
+<END DEGRADATION>
+<ADSORPTION>
+<Koc-value Fr.exp.Koc pH pKa limit for Freundl. ann.incr.> <k_doc> <% change> KOC2 pH2 f_neq kdes>
+1000 0.9 -99 20 0.01 0 0 1 -99 -99 0 0
+<END ADSORPTION>
+<DEPTH DEPENDENT SORPTION AND TRANSFORMATION VALUES>
+<Kd Fr.exp. Met C1 Met B2 Met C2 BR/CO2 >
+<END DEPTH DEPENDENT>
+<END PSM>
diff --git a/inst/testdata/Pesticide_D_1_day_pre_em_every_third_year.psm b/inst/testdata/Pesticide_D_1_day_pre_em_every_third_year.psm
new file mode 100644
index 0000000..c6f5945
--- /dev/null
+++ b/inst/testdata/Pesticide_D_1_day_pre_em_every_third_year.psm
@@ -0,0 +1,64 @@
+<COMMENT>
+Pesticide D, 1 day before emergence <FOCUS DUMMY D>
+<END COMMENT>
+<NUMBER OF SOIL HORIZONS>
+ 0
+<END NUMBER OF SOIL HORIZONS>
+<APPLICATION>
+ 1 0 9 <number of locations absolute app/relative app>
+022 <number of application location>
+-01 00 01 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 04 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 07 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 10 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 13 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 16 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 19 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 22 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 25 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 28 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 31 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 34 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 37 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 40 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 43 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 46 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 49 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 52 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 55 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 58 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 61 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+-01 00 64 1 0 0 0 0 <day month year app_rate app_depth frpex time>
+ 1 <pesticide appl. flag: 1=soil 2 =linear 3=exp. foliar 4=manually
+<END APPLICATION>
+<FLAGS>
+ 1 1 <henry(0=direct 1=calc.) kd_flag(0=direct 1=calc.)>
+<END FLAGS>
+<VOLATILIZATION>
+<henry solub. molmass vap.press diff air depth volat. Hv Temperature>
+ 3.33E-04 90 300 1.00E-04 0.0498 0.1 98400 20
+ 6.67E-10 180 300 4.00E-04 0.0498 0.1 98400 30
+<END VOLATILIZATION>
+<PLANT UPTAKE>
+ 0.5 <plant uptake factor
+<END PLANT UPTAKE>
+<DEGRADATION>
+<degrate degtemp q10 moist-abs moist-rel moist-exp rel deg neq sites
+ 0.00E+00 0 0 0 0 0 0 <Met A1>
+ 0.00E+00 20 2 19 0 0 0 <Met B1>
+ 0.00E+00 20 2 19 0 0 0 <Met C1>
+ 0.00E+00 20 2 19 0 0 0 <Met D1>
+ 0.0346570 20 2.2 0 100 0.7 0 <BR/CO2>
+ 0 <0 = degradation according to degradation factors, 1 = constant with depth,2 individual,3 = degradation according to degradation factors, 4 = constant with depth,5 individual, >2 deg in liquid phase only)
+<PHOTODEGRADATION>
+<rate 1/n> <I_Ref W/mē>
+ 0 500 0 0 0 0 0 0 0 0
+<END DEGRADATION>
+<ADSORPTION>
+<Koc-value Fr.exp.Koc pH pKa limit for Freundl. ann.incr.> <k_doc> <% change> KOC2 pH2 f_neq kdes>
+ 60 0.9 -99 20 0 0 0 1 -99 -99 0 0
+<END ADSORPTION>
+<DEPTH DEPENDENT SORPTION AND TRANSFORMATION VALUES>
+<Kd Fr.exp. Met A1 Met B1 Met C1 Met D1 BR/CO2 >
+<END DEPTH DEPENDENT>
+<END PSM>

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