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Commit 89cfaa81 authored by Todor Kondić's avatar Todor Kondić
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Test for `narrow_summ' and start testing `make_eic_ms1_plot'.

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# narrow_summ
Code
ns
Output
set ID set ID adduct tag mz ms1_rt ms1_int Name
1: AAs 4 AAs 4 [M+H]+ AA 120.0655 4 70481520 Threonine
2: AAs 4 AAs 4 [M+H]+ AA 120.0655 4 70481520 Threonine
3: AAs 4 AAs 4 [M+H]+ AA 120.0655 4 70481520 Threonine
4: AAs 4 AAs 4 [M+H]+ KO 120.0655 4 80851056 Threonine
5: AAs 4 AAs 4 [M+H]+ KO 120.0655 4 80851056 Threonine
6: AAs 4 AAs 4 [M+H]+ KO 120.0655 4 80851056 Threonine
7: AAs 4 AAs 4 [M+H]+ WT 120.0655 5 68987250 Threonine
8: AAs 4 AAs 4 [M+H]+ WT 120.0655 5 68987250 Threonine
9: AAs 4 AAs 4 [M+H]+ WT 120.0655 5 68987250 Threonine
SMILES qa_ms1_exists scan ms2_sel
1: C[C@@H](O)[C@H](N)C(O)=O TRUE F1.S000058 FALSE
2: C[C@@H](O)[C@H](N)C(O)=O TRUE F1.S000059 TRUE
3: C[C@@H](O)[C@H](N)C(O)=O TRUE F1.S000060 FALSE
4: C[C@@H](O)[C@H](N)C(O)=O TRUE F1.S000267 FALSE
5: C[C@@H](O)[C@H](N)C(O)=O TRUE F1.S000268 TRUE
6: C[C@@H](O)[C@H](N)C(O)=O TRUE F1.S000269 FALSE
7: C[C@@H](O)[C@H](N)C(O)=O TRUE F1.S000477 FALSE
8: C[C@@H](O)[C@H](N)C(O)=O TRUE F1.S000478 TRUE
9: C[C@@H](O)[C@H](N)C(O)=O TRUE F1.S000479 FALSE
PLOTTING_STATE = readRDS(system.file(package="shinyscreen","testdata","plotting-state.rds"))
pre_test_state = readRDS(system.file(package="shinyscreen","testdata","plotting-state.rds"))
synthetise_cgm_ms1 <- function(n,fac,shift) {
......@@ -127,3 +127,8 @@ fix_testing_state_conf <- function(conf) {
## dt = empty_cgram_ms1(
## }
pre_test_state$db = synthetise_pseudo_state_db(pre_test_state$db)
pre_test_state$conf = fix_testing_state_conf(pre_test_state$conf)
pre_test_state = prescreen(pre_test_state)
PLOTTING_TEST_STATE = pre_test_state
rm(pre_test_state)
test_that("get_data_from_key",{
m = PLOTTING_STATE
m$db = synthetise_pseudo_state_db(m$db)
m$conf = fix_testing_state_conf(m$conf)
m = prescreen(m)
browser()
expect_identical(1L,1L)
test_that("narrow_summ",{
m = PLOTTING_TEST_STATE
## kvals = list(set="AAs",ID="5") # 5 is interesting (isobars with 19)
kvals = list(set="AAs",ID="4")
labs = c("adduct","tag")
ns = narrow_summ(db=m$db,m$out$tab$summ,kvals,labs,"mz","ms1_rt","ms1_int","Name","SMILES","qa_ms1_exists","scan","ms2_sel")
expect_snapshot(ns)
})
test_that("make_eic_ms1_plot",{
m = PLOTTING_TEST_STATE
kvals = list(set="AAs",ID="4")
labs = c("adduct","tag")
plt = make_eic_ms1_plot(db=m$db,m$db$extr$cgm$ms1,m$out$tab$summ,kvals,labs)
expect_equal(1,1)
})
......
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